V022-0823 Screening compound: 4-[(4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-0823 Screening compound: 4-[(4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-0823 Screening compound: 4-[(4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0823
4-[(4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-(3-methoxyphenyl)-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

V022-0823

Molecular Formula

C23H19FN4O5 (C23 H19 FN4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(C(N2Cc(cc3)ccc3F)=O)N=C(C(NCc3ccco3)=O)C2=O)c1

InChI

InChI=1S/C23H19FN4O5/c1-32-18-5-2-4-17(12-18)28-23(31)27(14-15-7-9-16(24)10-8-15)22(30)20(26-28)21(29)25-13-19-6-3-11-33-19/h2-12H,13-14H2,1H3,(H,25,29)

InChI Key

MYVTWBAGYNWELV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837251

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-3.83

Polar Surface Area

81.951

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V022-0823 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V022-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0823?
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What is the minimum amount of V022-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0823
  • 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 V022-0823 available by request