V026-6191 Screening compound: N,3-DIMETHYL-5-(3-PYRIDYL)-N-(3,4,5-TRIMETHOXYBENZYL)-4-ISOXAZOLECARBOXAMIDE

V026-6191 Screening compound: N,3-DIMETHYL-5-(3-PYRIDYL)-N-(3,4,5-TRIMETHOXYBENZYL)-4-ISOXAZOLECARBOXAMIDE
V026-6191 Screening compound: N,3-DIMETHYL-5-(3-PYRIDYL)-N-(3,4,5-TRIMETHOXYBENZYL)-4-ISOXAZOLECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6191
N,3-DIMETHYL-5-(3-PYRIDYL)-N-(3,4,5-TRIMETHOXYBENZYL)-4-ISOXAZOLECARBOXAMIDE

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

V026-6191

Molecular Formula

C21H23N3O5 (C21 H23 N3 O5)

Compound Name

N,3-DIMETHYL-5-(3-PYRIDYL)-N-(3,4,5-TRIMETHOXYBENZYL)-4-ISOXAZOLECARBOXAMIDE

IUPAC name

N3-dimethyl-5-(pyridin-3-yl)-N-[(345-trimethoxyphenyl)methyl]-12-oxazole-4-carboxamide

SMILES

Cc1noc(-c2cnccc2)c1C(N(C)Cc(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C21H23N3O5/c1-13-18(19(29-23-13)15-7-6-8-22-11-15)21(25)24(2)12-14-9-16(26-3)20(28-5)17(10-14)27-4/h6-11H,12H2,1-5H3

InChI Key

STWJHPFNYZYYPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

1.995

Water Solubility, LogSw

-2.09

Polar Surface Area

71.230

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

V026-6191 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 V026-6191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6191?
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What is the minimum amount of V026-6191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6191
  • 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 V026-6191 available by request