D252-0030 Screening compound: 3-[5-(4-bromophenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile

D252-0030 Screening compound: 3-[5-(4-bromophenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
D252-0030 Screening compound: 3-[5-(4-bromophenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D252-0030
3-[5-(4-bromophenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile

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

D252-0030

Molecular Formula

C21H15BrN4O2 (C21 H15 BrN4 O2)

Compound Name

3-[5-(4-bromophenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile

IUPAC name

3-[5-(4-bromophenyl)-13-dimethyl-24-dioxo-1H2H3H4H6H-pyrrolo[34-d]pyrimidin-6-yl]benzonitrile

SMILES

CN(c(c(C(N1C)=O)c2-c(cc3)ccc3Br)cn2-c2cc(C#N)ccc2)C1=O

InChI

InChI=1S/C21H15BrN4O2/c1-24-17-12-26(16-5-3-4-13(10-16)11-23)19(14-6-8-15(22)9-7-14)18(17)20(27)25(2)21(24)28/h3-10,12H,1-2H3

InChI Key

QWRUHKNDHYHLQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.27

Polar Surface Area

49.844

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D252-0030 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D252-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D252-0030?
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What is the minimum amount of D252-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0030
  • 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 D252-0030 available by request