V022-3616 Screening compound: 2-(3-chlorophenyl)-N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-3616 Screening compound: 2-(3-chlorophenyl)-N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-3616 Screening compound: 2-(3-chlorophenyl)-N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-3616
2-(3-chlorophenyl)-N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

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

V022-3616

Molecular Formula

C21H18ClFN4O3 (C21 H18 ClFN4 O3)

Compound Name

2-(3-chlorophenyl)-N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

2-(3-chlorophenyl)-N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-35-dioxo-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

O=C(C(C(N1Cc(cccc2)c2F)=O)=NN(c2cccc(Cl)c2)C1=O)NCC1CC1

InChI

InChI=1S/C21H18ClFN4O3/c22-15-5-3-6-16(10-15)27-21(30)26(12-14-4-1-2-7-17(14)23)20(29)18(25-27)19(28)24-11-13-8-9-13/h1-7,10,13H,8-9,11-12H2,(H,24,28)

InChI Key

DANOGVDSFRTPQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-4.28

Polar Surface Area

67.181

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V022-3616 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V022-3616 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V022-3616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-3616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-3616
  • 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 V022-3616 available by request