D338-0034 Screening compound: 1-methyl-5-[1-methyl-6-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

D338-0034 Screening compound: 1-methyl-5-[1-methyl-6-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
D338-0034 Screening compound: 1-methyl-5-[1-methyl-6-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D338-0034
1-methyl-5-[1-methyl-6-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-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

D338-0034

Molecular Formula

C23H20N6O4 (C23 H20 N6 O4)

Compound Name

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

IUPAC name

1-methyl-5-[1-methyl-6-(4-methylphenyl)-24-dioxo-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1234-tetrahydropyrimidine-24-dione

SMILES

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

InChI

InChI=1S/C23H20N6O4/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

WMKMLCOQTNOPGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.742

Water Solubility, LogSw

-3.17

Polar Surface Area

96.662

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D338-0034 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D338-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D338-0034?
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What is the minimum amount of D338-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D338-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D338-0034
  • 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 D338-0034 available by request