D077-0268 Screening compound: 5-(2-chlorophenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0268 Screening compound: 5-(2-chlorophenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0268 Screening compound: 5-(2-chlorophenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0268
5-(2-chlorophenyl)-1,3-dimethyl-6-(4-methylphenyl)-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

D077-0268

Molecular Formula

C21H18ClN3O2 (C21 H18 ClN3 O2)

Compound Name

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

IUPAC name

5-(2-chlorophenyl)-13-dimethyl-6-(4-methylphenyl)-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

Cc(cc1)ccc1-n(cc1N(C)C(N2C)=O)c(-c(cccc3)c3Cl)c1C2=O

InChI

InChI=1S/C21H18ClN3O2/c1-13-8-10-14(11-9-13)25-12-17-18(20(26)24(3)21(27)23(17)2)19(25)15-6-4-5-7-16(15)22/h4-12H,1-3H3

InChI Key

LLCQITPOWZDSKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.83

Polar Surface Area

32.787

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D077-0268 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D077-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0268?
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What is the minimum amount of D077-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0268
  • 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 D077-0268 available by request