D077-0006 Screening compound: N-(4-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}phenyl)acetamide

D077-0006 Screening compound: N-(4-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}phenyl)acetamide
D077-0006 Screening compound: N-(4-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0006
N-(4-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}phenyl)acetamide

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

D077-0006

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

N-(4-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}phenyl)acetamide

IUPAC name

N-(4-{13-dimethyl-24-dioxo-5-phenyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidin-6-yl}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1-n(cc1N(C)C(N2C)=O)c(-c3ccccc3)c1C2=O)=O

InChI

InChI=1S/C22H20N4O3/c1-14(27)23-16-9-11-17(12-10-16)26-13-18-19(20(26)15-7-5-4-6-8-15)21(28)25(3)22(29)24(18)2/h4-13H,1-3H3,(H,23,27)

InChI Key

IMVFEJRYSJARBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04172081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-3.14

Polar Surface Area

56.049

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with D077-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0006?
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What is the minimum amount of D077-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0006
  • 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 D077-0006 available by request