D077-0380 Screening compound: 6-(2,5-dimethylphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0380 Screening compound: 6-(2,5-dimethylphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0380 Screening compound: 6-(2,5-dimethylphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0380
6-(2,5-dimethylphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-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

D077-0380

Molecular Formula

C22H20N4O4 (C22 H20 N4 O4)

Compound Name

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

IUPAC name

6-(25-dimethylphenyl)-13-dimethyl-5-(3-nitrophenyl)-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

Cc1cc(-n(cc2N(C)C(N3C)=O)c(-c4cccc([N+]([O-])=O)c4)c2C3=O)c(C)cc1

InChI

InChI=1S/C22H20N4O4/c1-13-8-9-14(2)17(10-13)25-12-18-19(21(27)24(4)22(28)23(18)3)20(25)15-6-5-7-16(11-15)26(29)30/h5-12H,1-4H3

InChI Key

ZNPMRLWJSRHRMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.50

Polar Surface Area

65.868

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D077-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0380?
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What is the minimum amount of D077-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0380
  • 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 D077-0380 available by request