D252-0117 Screening compound: 5-(2-bromophenyl)-6-(3-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D252-0117 Screening compound: 5-(2-bromophenyl)-6-(3-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D252-0117 Screening compound: 5-(2-bromophenyl)-6-(3-methoxyphenyl)-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 D252-0117
5-(2-bromophenyl)-6-(3-methoxyphenyl)-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

D252-0117

Molecular Formula

C21H18BrN3O3 (C21 H18 BrN3 O3)

Compound Name

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

IUPAC name

5-(2-bromophenyl)-6-(3-methoxyphenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cccc3)c3Br)cn2-c2cc(OC)ccc2)C1=O

InChI

InChI=1S/C21H18BrN3O3/c1-23-17-12-25(13-7-6-8-14(11-13)28-3)19(15-9-4-5-10-16(15)22)18(17)20(26)24(2)21(23)27/h4-12H,1-3H3

InChI Key

YNXLLLJYGBAQHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.3

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

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.32

Polar Surface Area

40.331

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D252-0117 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D252-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D252-0117?
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What is the minimum amount of D252-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0117
  • 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 D252-0117 available by request