D077-0102 Screening compound: methyl 2-[1,3-dimethyl-5-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

D077-0102 Screening compound: methyl 2-[1,3-dimethyl-5-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
D077-0102 Screening compound: methyl 2-[1,3-dimethyl-5-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0102
methyl 2-[1,3-dimethyl-5-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

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

D077-0102

Molecular Formula

C23H21N3O4 (C23 H21 N3 O4)

Compound Name

methyl 2-[1,3-dimethyl-5-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

IUPAC name

methyl 2-[13-dimethyl-5-(3-methylphenyl)-24-dioxo-1H2H3H4H6H-pyrrolo[34-d]pyrimidin-6-yl]benzoate

SMILES

Cc1cccc(-c(n(cc2N(C)C(N3C)=O)-c(cccc4)c4C(OC)=O)c2C3=O)c1

InChI

InChI=1S/C23H21N3O4/c1-14-8-7-9-15(12-14)20-19-18(24(2)23(29)25(3)21(19)27)13-26(20)17-11-6-5-10-16(17)22(28)30-4/h5-13H,1-4H3

InChI Key

MRFDXHZXNHMGQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.792

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-4.12

Polar Surface Area

53.660

Acid Dissociation Constant (pKa)

28.86

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D077-0102 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D077-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0102?
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What is the minimum amount of D077-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0102
  • 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 D077-0102 available by request