V009-4716 Screening compound: propan-2-yl 4-[3-(2-chloroacetamido)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V009-4716 Screening compound: propan-2-yl 4-[3-(2-chloroacetamido)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V009-4716 Screening compound: propan-2-yl 4-[3-(2-chloroacetamido)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4716
propan-2-yl 4-[3-(2-chloroacetamido)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

V009-4716

Molecular Formula

C18H22ClN3O4 (C18 H22 ClN3 O4)

Compound Name

propan-2-yl 4-[3-(2-chloroacetamido)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 4-[3-(2-chloroacetamido)phenyl]-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)OC(C(C(c1cccc(NC(CCl)=O)c1)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C18H22ClN3O4/c1-10(2)26-17(24)15-11(3)22(4)18(25)21-16(15)12-6-5-7-13(8-12)20-14(23)9-19/h5-8,10,16H,9H2,1-4H3,(H,20,23)(H,21,25)/t16-/m0/s1

InChI Key

YLGDJUCMHLTTKS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19719787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.305

Distribution Coefficient, logD

2.301

Water Solubility, LogSw

-3.02

Polar Surface Area

71.257

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

V009-4716 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V009-4716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4716?
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What is the minimum amount of V009-4716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4716
  • 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 V009-4716 available by request