D077-0016 Screening compound: 6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0016 Screening compound: 6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0016 Screening compound: 6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0016
6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-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

D077-0016

Molecular Formula

C20H16ClN3O3 (C20 H16 ClN3 O3)

Compound Name

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

IUPAC name

6-(5-chloro-2-hydroxyphenyl)-13-dimethyl-5-phenyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c3ccccc3)cn2-c(cc(cc2)Cl)c2O)C1=O

InChI

InChI=1S/C20H16ClN3O3/c1-22-15-11-24(14-10-13(21)8-9-16(14)25)18(12-6-4-3-5-7-12)17(15)19(26)23(2)20(22)27/h3-11,25H,1-2H3

InChI Key

MYJNPSALGSGXRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.17

Polar Surface Area

49.034

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D077-0016 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D077-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0016?
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What is the minimum amount of D077-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0016
  • 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 D077-0016 available by request