D338-0102 Screening compound: 5-[6-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1-methyl-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

D338-0102 Screening compound: 5-[6-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1-methyl-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
D338-0102 Screening compound: 5-[6-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1-methyl-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D338-0102
5-[6-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1-methyl-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

D338-0102

Molecular Formula

C24H22N6O6 (C24 H22 N6 O6)

Compound Name

5-[6-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1-methyl-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-[6-(34-dimethoxyphenyl)-1-methyl-24-dioxo-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-5-yl]-1-methyl-6-(1H-pyrrol-1-yl)-1234-tetrahydropyrimidine-24-dione

SMILES

CN(c([nH]c(-c(cc1)cc(OC)c1OC)c1C(C(N2)=O)=C(n3cccc3)N(C)C2=O)c1C(N1)=O)C1=O

InChI

InChI=1S/C24H22N6O6/c1-28-19-16(20(31)26-23(28)33)15(18(25-19)12-7-8-13(35-3)14(11-12)36-4)17-21(32)27-24(34)29(2)22(17)30-9-5-6-10-30/h5-11,25H,1-4H3,(H,26,31,33)(H,27,32,34)

InChI Key

DEDZDHFTOAMQNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.70

Polar Surface Area

111.922

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D338-0102 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D338-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D338-0102?
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What is the minimum amount of D338-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D338-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D338-0102
  • 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 D338-0102 available by request