5537-0028 Screening compound: 1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

5537-0028 Screening compound: 1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
5537-0028 Screening compound: 1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5537-0028
1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-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

5537-0028

Molecular Formula

C21H19N5O4 (C21 H19 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CNc(ccc([N+]([O-])=O)c1)c1-n(cc1N(C)C(N2C)=O)c(-c3ccccc3)c1C2=O

InChI

InChI=1S/C21H19N5O4/c1-22-15-10-9-14(26(29)30)11-16(15)25-12-17-18(19(25)13-7-5-4-6-8-13)20(27)24(3)21(28)23(17)2/h4-12,22H,1-3H3

InChI Key

ZLFUOINEVKHWAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03667582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.54

Polar Surface Area

75.827

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 5537-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5537-0028?
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What is the minimum amount of 5537-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5537-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5537-0028
  • 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 5537-0028 available by request