D383-0031 Screening compound: 5-(3-bromophenyl)-6-(2-ethoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D383-0031 Screening compound: 5-(3-bromophenyl)-6-(2-ethoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D383-0031 Screening compound: 5-(3-bromophenyl)-6-(2-ethoxyphenyl)-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 D383-0031
5-(3-bromophenyl)-6-(2-ethoxyphenyl)-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

D383-0031

Molecular Formula

C22H20BrN3O3 (C22 H20 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1-n(cc1N(C)C(N2C)=O)c(-c3cccc(Br)c3)c1C2=O

InChI

InChI=1S/C22H20BrN3O3/c1-4-29-18-11-6-5-10-16(18)26-13-17-19(21(27)25(3)22(28)24(17)2)20(26)14-8-7-9-15(23)12-14/h5-13H,4H2,1-3H3

InChI Key

UJMFQKUGNLJZTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.41

Polar Surface Area

39.697

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D383-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D383-0031?
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What is the minimum amount of D383-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D383-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D383-0031
  • 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 D383-0031 available by request