D077-0315 Screening compound: 5-(2-chlorophenyl)-6-(2-ethylphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0315 Screening compound: 5-(2-chlorophenyl)-6-(2-ethylphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0315 Screening compound: 5-(2-chlorophenyl)-6-(2-ethylphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0315
5-(2-chlorophenyl)-6-(2-ethylphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-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

D077-0315

Molecular Formula

C22H20ClN3O2 (C22 H20 ClN3 O2)

Compound Name

5-(2-chlorophenyl)-6-(2-ethylphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

IUPAC name

5-(2-chlorophenyl)-6-(2-ethylphenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CCc(cccc1)c1-n(cc1N(C)C(N2C)=O)c(-c(cccc3)c3Cl)c1C2=O

InChI

InChI=1S/C22H20ClN3O2/c1-4-14-9-5-8-12-17(14)26-13-18-19(21(27)25(3)22(28)24(18)2)20(26)15-10-6-7-11-16(15)23/h5-13H,4H2,1-3H3

InChI Key

HQKOFDHIZNYBDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.750

Distribution Coefficient, logD

4.750

Water Solubility, LogSw

-5.00

Polar Surface Area

32.486

Acid Dissociation Constant (pKa)

24.90

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D077-0315 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D077-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0315?
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What is the minimum amount of D077-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0315
  • 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 D077-0315 available by request