D077-0214 Screening compound: 5-(4-chlorophenyl)-6-[4-(dimethylamino)phenyl]-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0214 Screening compound: 5-(4-chlorophenyl)-6-[4-(dimethylamino)phenyl]-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0214 Screening compound: 5-(4-chlorophenyl)-6-[4-(dimethylamino)phenyl]-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 D077-0214
5-(4-chlorophenyl)-6-[4-(dimethylamino)phenyl]-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

D077-0214

Molecular Formula

C22H21ClN4O2 (C22 H21 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c(cc1)ccc1-n(cc1N(C)C(N2C)=O)c(-c(cc3)ccc3Cl)c1C2=O

InChI

InChI=1S/C22H21ClN4O2/c1-24(2)16-9-11-17(12-10-16)27-13-18-19(21(28)26(4)22(29)25(18)3)20(27)14-5-7-15(23)8-6-14/h5-13H,1-4H3

InChI Key

PYHYTHPRCWJIKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.95

Polar Surface Area

35.592

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D077-0214 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D077-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0214?
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What is the minimum amount of D077-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0214
  • 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 D077-0214 available by request