V023-4451 Screening compound: N-cyclopropyl-2-({6-[2-(4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-thiazole-4-carboxamide

V023-4451 Screening compound: N-cyclopropyl-2-({6-[2-(4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-thiazole-4-carboxamide
V023-4451 Screening compound: N-cyclopropyl-2-({6-[2-(4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-4451
N-cyclopropyl-2-({6-[2-(4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-thiazole-4-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

V023-4451

Molecular Formula

C24H20FN3O5S (C24 H20 FN3 O5 S)

Compound Name

N-cyclopropyl-2-({6-[2-(4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-thiazole-4-carboxamide

IUPAC name

N-cyclopropyl-2-({6-[2-(4-fluorophenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}methyl)-13-thiazole-4-carboxamide

SMILES

O=C(COc(cc1)ccc1F)c(cc1)cc(N2Cc3nc(C(NC4CC4)=O)cs3)c1OCC2=O

InChI

InChI=1S/C24H20FN3O5S/c25-15-2-6-17(7-3-15)32-11-20(29)14-1-8-21-19(9-14)28(23(30)12-33-21)10-22-27-18(13-34-22)24(31)26-16-4-5-16/h1-3,6-9,13,16H,4-5,10-12H2,(H,26,31)

InChI Key

LTQVEISFGFFEMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.931

Distribution Coefficient, logD

2.931

Water Solubility, LogSw

-3.55

Polar Surface Area

79.513

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V023-4451 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V023-4451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-4451?
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What is the minimum amount of V023-4451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-4451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-4451
  • 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 V023-4451 available by request