D343-0079 Screening compound: methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate

D343-0079 Screening compound: methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
D343-0079 Screening compound: methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-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 D343-0079
methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-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

D343-0079

Molecular Formula

C22H19N3O7S (C22 H19 N3 O7 S)

Compound Name

methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-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-(23-dihydro-14-benzodioxin-6-yl)-1-methyl-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)cc4c3OCCO4)[nH]c(N(C)C(N3)=O)c2C3=O)s1

InChI

InChI=1S/C22H19N3O7S/c1-9-13(21(28)30-3)17(26)18(33-9)14-15-19(25(2)22(29)24-20(15)27)23-16(14)10-4-5-11-12(8-10)32-7-6-31-11/h4-5,8,23,26H,6-7H2,1-3H3,(H,24,27,29)

InChI Key

BIEBOCALVCZIFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.509

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-2.97

Polar Surface Area

104.894

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D343-0079 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D343-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D343-0079?
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What is the minimum amount of D343-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D343-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D343-0079
  • 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 D343-0079 available by request