D252-0106 Screening compound: 6-(2-aminophenyl)-5-(2-bromophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D252-0106 Screening compound: 6-(2-aminophenyl)-5-(2-bromophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D252-0106 Screening compound: 6-(2-aminophenyl)-5-(2-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 D252-0106
6-(2-aminophenyl)-5-(2-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

D252-0106

Molecular Formula

C20H17BrN4O2 (C20 H17 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(C(N1C)=O)c2-c(cccc3)c3Br)cn2-c(cccc2)c2N)C1=O

InChI

InChI=1S/C20H17BrN4O2/c1-23-16-11-25(15-10-6-5-9-14(15)22)18(12-7-3-4-8-13(12)21)17(16)19(26)24(2)20(23)27/h3-11H,22H2,1-2H3

InChI Key

VSWCFDDNXIUXGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.88

Polar Surface Area

52.582

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D252-0106 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D252-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D252-0106?
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What is the minimum amount of D252-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0106
  • 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 D252-0106 available by request