D338-0038 Screening compound: 1-methyl-5-[1-methyl-6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D338-0038 Screening compound: 1-methyl-5-[1-methyl-6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D338-0038 Screening compound: 1-methyl-5-[1-methyl-6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D338-0038
1-methyl-5-[1-methyl-6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

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

D338-0038

Molecular Formula

C23H20N6O2S2 (C23 H20 N6 O2 S2)

Compound Name

1-methyl-5-[1-methyl-6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

IUPAC name

1-methyl-5-[1-methyl-6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

Cc(cc1)ccc1-c([nH]c(N(C)C(N1)=S)c2C1=O)c2C(C(N1)=O)=C(n2cccc2)N(C)C1=S

InChI

InChI=1S/C23H20N6O2S2/c1-12-6-8-13(9-7-12)17-14(15-18(24-17)27(2)22(32)25-19(15)30)16-20(31)26-23(33)28(3)21(16)29-10-4-5-11-29/h4-11,24H,1-3H3,(H,25,30,32)(H,26,31,33)

InChI Key

NZAIPFGKKJWXSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.76

Polar Surface Area

70.337

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D338-0038 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D338-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D338-0038?
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What is the minimum amount of D338-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D338-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D338-0038
  • 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 D338-0038 available by request