D077-0405 Screening compound: 6-(3-methoxyphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0405 Screening compound: 6-(3-methoxyphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0405 Screening compound: 6-(3-methoxyphenyl)-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 D077-0405
6-(3-methoxyphenyl)-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

D077-0405

Molecular Formula

C21H18N4O5 (C21 H18 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(C(N1C)=O)c2-c3cccc([N+]([O-])=O)c3)cn2-c2cc(OC)ccc2)C1=O

InChI

InChI=1S/C21H18N4O5/c1-22-17-12-24(14-7-5-9-16(11-14)30-3)19(18(17)20(26)23(2)21(22)27)13-6-4-8-15(10-13)25(28)29/h4-12H,1-3H3

InChI Key

KJXYGYACZCDJJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.695

Distribution Coefficient, logD

3.695

Water Solubility, LogSw

-4.21

Polar Surface Area

73.713

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D077-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0405?
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What is the minimum amount of D077-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0405
  • 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 D077-0405 available by request