D077-0299 Screening compound: 5-(2-chlorophenyl)-6-(4-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0299 Screening compound: 5-(2-chlorophenyl)-6-(4-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0299 Screening compound: 5-(2-chlorophenyl)-6-(4-chlorophenyl)-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 D077-0299
5-(2-chlorophenyl)-6-(4-chlorophenyl)-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

D077-0299

Molecular Formula

C20H15Cl2N3O2 (C20 H15 Cl2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(C(N1C)=O)c2-c(cccc3)c3Cl)cn2-c(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C20H15Cl2N3O2/c1-23-16-11-25(13-9-7-12(21)8-10-13)18(14-5-3-4-6-15(14)22)17(16)19(26)24(2)20(23)27/h3-11H,1-2H3

InChI Key

MOLVMIUQXFLBRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.26

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

4.614

Distribution Coefficient, logD

4.614

Water Solubility, LogSw

-4.98

Polar Surface Area

32.787

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D077-0299 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 D077-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0299?
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What is the minimum amount of D077-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0299
  • 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 D077-0299 available by request