D517-0108 Screening compound: methyl 5-[6-(4-bromophenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate

D517-0108 Screening compound: methyl 5-[6-(4-bromophenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
D517-0108 Screening compound: methyl 5-[6-(4-bromophenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D517-0108
methyl 5-[6-(4-bromophenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D517-0108

Molecular Formula

C19H14BrN3O5S (C19 H14 BrN3 O5 S)

Compound Name

methyl 5-[6-(4-bromophenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate

IUPAC name

methyl 5-[6-(4-bromophenyl)-24-dioxo-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(O)c(-c2c(-c(cc3)ccc3Br)[nH]c(NC(N3)=O)c2C3=O)s1

InChI

InChI=1S/C19H14BrN3O5S/c1-7-10(18(26)28-2)14(24)15(29-7)11-12-16(22-19(27)23-17(12)25)21-13(11)8-3-5-9(20)6-4-8/h3-6,24H,1-2H3,(H3,21,22,23,25,27)

InChI Key

WXMIXMAKQDFUDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-4.40

Polar Surface Area

97.230

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D517-0108 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D517-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D517-0108?
Check Price and Availability of D517-0108, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D517-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D517-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D517-0108
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D517-0108 available by request