D343-0114 Screening compound: methyl 4-hydroxy-2-methyl-5-[1-methyl-6-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-3-carboxylate

D343-0114 Screening compound: methyl 4-hydroxy-2-methyl-5-[1-methyl-6-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-3-carboxylate
D343-0114 Screening compound: methyl 4-hydroxy-2-methyl-5-[1-methyl-6-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D343-0114
methyl 4-hydroxy-2-methyl-5-[1-methyl-6-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-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

D343-0114

Molecular Formula

C21H19N3O5S (C21 H19 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(OC)=O)c(O)c(-c2c(-c3ccc(C)cc3)[nH]c(N(C)C(N3)=O)c2C3=O)s1

InChI

InChI=1S/C21H19N3O5S/c1-9-5-7-11(8-6-9)15-13(14-18(22-15)24(3)21(28)23-19(14)26)17-16(25)12(10(2)30-17)20(27)29-4/h5-8,22,25H,1-4H3,(H,23,26,28)

InChI Key

STKPGZSGROCJRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-4.33

Polar Surface Area

89.071

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D343-0114 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D343-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D343-0114?
Check Price and Availability of D343-0114, 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 D343-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D343-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D343-0114
  • 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 D343-0114 available by request