V001-8926 Screening compound: N-benzyl-N-{[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl}-3-methoxybenzamide

V001-8926 Screening compound: N-benzyl-N-{[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl}-3-methoxybenzamide
V001-8926 Screening compound: N-benzyl-N-{[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl}-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-8926
N-benzyl-N-{[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl}-3-methoxybenzamide

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

V001-8926

Molecular Formula

C27H26N2O3 (C27 H26 N2 O3)

Compound Name

N-benzyl-N-{[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl}-3-methoxybenzamide

IUPAC name

N-benzyl-N-{[5-(24-dimethylphenyl)-12-oxazol-3-yl]methyl}-3-methoxybenzamide

SMILES

Cc(cc1)cc(C)c1-c1cc(CN(Cc2ccccc2)C(c2cc(OC)ccc2)=O)no1

InChI

InChI=1S/C27H26N2O3/c1-19-12-13-25(20(2)14-19)26-16-23(28-32-26)18-29(17-21-8-5-4-6-9-21)27(30)22-10-7-11-24(15-22)31-3/h4-16H,17-18H2,1-3H3

InChI Key

MNEZNSGYXYHDOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.594

Distribution Coefficient, logD

5.594

Water Solubility, LogSw

-5.47

Polar Surface Area

45.752

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

-5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V001-8926 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V001-8926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-8926?
Check Price and Availability of V001-8926, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-8926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-8926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-8926
  • 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 V001-8926 available by request