D252-0034 Screening compound: 6-benzyl-5-(4-bromophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D252-0034 Screening compound: 6-benzyl-5-(4-bromophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D252-0034 Screening compound: 6-benzyl-5-(4-bromophenyl)-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 D252-0034
6-benzyl-5-(4-bromophenyl)-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

D252-0034

Molecular Formula

C21H18BrN3O2 (C21 H18 BrN3 O2)

Compound Name

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

IUPAC name

6-benzyl-5-(4-bromophenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c1cn(Cc2ccccc2)c(-c(cc2)ccc2Br)c1C(N1C)=O)C1=O

InChI

InChI=1S/C21H18BrN3O2/c1-23-17-13-25(12-14-6-4-3-5-7-14)19(15-8-10-16(22)11-9-15)18(17)20(26)24(2)21(23)27/h3-11,13H,12H2,1-2H3

InChI Key

PKAZMFYXRFESOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09039351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.38

Polar Surface Area

32.328

Acid Dissociation Constant (pKa)

26.62

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D252-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D252-0034?
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What is the minimum amount of D252-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0034
  • 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 D252-0034 available by request