D077-0117 Screening compound: 6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0117 Screening compound: 6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0117 Screening compound: 6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0117
6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-(3-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

D077-0117

Molecular Formula

C21H18ClN3O3 (C21 H18 ClN3 O3)

Compound Name

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

IUPAC name

6-(5-chloro-2-hydroxyphenyl)-13-dimethyl-5-(3-methylphenyl)-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

Cc1cccc(-c(n(cc2N(C)C(N3C)=O)-c(cc(cc4)Cl)c4O)c2C3=O)c1

InChI

InChI=1S/C21H18ClN3O3/c1-12-5-4-6-13(9-12)19-18-16(23(2)21(28)24(3)20(18)27)11-25(19)15-10-14(22)7-8-17(15)26/h4-11,26H,1-3H3

InChI Key

PMZPNEMURLDPON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.85

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

4.381

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.53

Polar Surface Area

49.034

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D077-0117 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 D077-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0117?
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What is the minimum amount of D077-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0117
  • 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 D077-0117 available by request