D077-0265 Screening compound: 5-(2-chlorophenyl)-6-cyclohexyl-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0265 Screening compound: 5-(2-chlorophenyl)-6-cyclohexyl-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0265 Screening compound: 5-(2-chlorophenyl)-6-cyclohexyl-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 D077-0265
5-(2-chlorophenyl)-6-cyclohexyl-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

D077-0265

Molecular Formula

C20H22ClN3O2 (C20 H22 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c1cn(C2CCCCC2)c(-c(cccc2)c2Cl)c1C(N1C)=O)C1=O

InChI

InChI=1S/C20H22ClN3O2/c1-22-16-12-24(13-8-4-3-5-9-13)18(14-10-6-7-11-15(14)21)17(16)19(25)23(2)20(22)26/h6-7,10-13H,3-5,8-9H2,1-2H3

InChI Key

WWUCXHCWJBCQRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.87

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

4.288

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.76

Polar Surface Area

32.620

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with D077-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0265?
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What is the minimum amount of D077-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0265
  • 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 D077-0265 available by request