V014-4971 Screening compound: 4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V014-4971 Screening compound: 4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V014-4971 Screening compound: 4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4971
4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-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

V014-4971

Molecular Formula

C23H23FN4O4 (C23 H23 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(N1Cc2cccc(F)c2)=O)N=C(C(NCC2OCCC2)=O)C1=O

InChI

InChI=1S/C23H23FN4O4/c1-15-7-9-18(10-8-15)28-23(31)27(14-16-4-2-5-17(24)12-16)22(30)20(26-28)21(29)25-13-19-6-3-11-32-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,25,29)/t19-/m1/s1

InChI Key

DHNQXVFSDJIOJV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19836292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.745

Water Solubility, LogSw

-3.13

Polar Surface Area

75.313

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with V014-4971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4971?
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What is the minimum amount of V014-4971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4971
  • 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 V014-4971 available by request