D077-0109 Screening compound: 6-(2-ethoxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0109 Screening compound: 6-(2-ethoxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0109 Screening compound: 6-(2-ethoxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0109
6-(2-ethoxyphenyl)-1,3-dimethyl-5-(3-methylphenyl)-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

D077-0109

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1-n(cc1N(C)C(N2C)=O)c(-c3cc(C)ccc3)c1C2=O

InChI

InChI=1S/C23H23N3O3/c1-5-29-19-12-7-6-11-17(19)26-14-18-20(22(27)25(4)23(28)24(18)3)21(26)16-10-8-9-15(2)13-16/h6-14H,5H2,1-4H3

InChI Key

XTSWVZBLEFVQAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

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

4.227

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.30

Polar Surface Area

39.697

Acid Dissociation Constant (pKa)

28.86

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D077-0109 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 D077-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0109?
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What is the minimum amount of D077-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0109
  • 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 D077-0109 available by request