V019-9928 Screening compound: 2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(3,4-dimethylphenyl)acetamide

V019-9928 Screening compound: 2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(3,4-dimethylphenyl)acetamide
V019-9928 Screening compound: 2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-9928
2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(3,4-dimethylphenyl)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

V019-9928

Molecular Formula

C25H25ClN4O3 (C25 H25 ClN4 O3)

Compound Name

2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(3,4-dimethylphenyl)acetamide

IUPAC name

2-[4-(2-chlorophenyl)-25-dioxo-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-(34-dimethylphenyl)acetamide

SMILES

Cc(cc1)c(C)cc1NC(CN(CC(N1CC=C)=C2C(c(cccc3)c3Cl)NC1=O)C2=O)=O

InChI

InChI=1S/C25H25ClN4O3/c1-4-11-30-20-13-29(14-21(31)27-17-10-9-15(2)16(3)12-17)24(32)22(20)23(28-25(30)33)18-7-5-6-8-19(18)26/h4-10,12,23H,1,11,13-14H2,2-3H3,(H,27,31)(H,28,33)/t23-/m1/s1

InChI Key

OTJRVOVLZRFQGU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19936311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.42

Polar Surface Area

67.864

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V019-9928 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V019-9928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-9928?
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What is the minimum amount of V019-9928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-9928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-9928
  • 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 V019-9928 available by request