V023-6130 Screening compound: 4-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V023-6130 Screening compound: 4-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V023-6130 Screening compound: 4-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-6130
4-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-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

V023-6130

Molecular Formula

C20H18ClFN4O3 (C20 H18 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(C(C(N1Cc2cccc(Cl)c2)=O)=NN(c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C20H18ClFN4O3/c1-12(2)23-18(27)17-19(28)25(11-13-4-3-5-14(21)10-13)20(29)26(24-17)16-8-6-15(22)7-9-16/h3-10,12H,11H2,1-2H3,(H,23,27)

InChI Key

ZTGMWVLSBLRHBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837888

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

3.675

Water Solubility, LogSw

-4.04

Polar Surface Area

65.904

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V023-6130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-6130?
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What is the minimum amount of V023-6130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-6130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-6130
  • 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 V023-6130 available by request