V016-8054 Screening compound: N-(diphenylmethyl)-2-{[(4-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,3-oxazole-4-carboxamide

V016-8054 Screening compound: N-(diphenylmethyl)-2-{[(4-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,3-oxazole-4-carboxamide
V016-8054 Screening compound: N-(diphenylmethyl)-2-{[(4-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8054
N-(diphenylmethyl)-2-{[(4-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,3-oxazole-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

V016-8054

Molecular Formula

C26H21N3O3S (C26 H21 N3 O3 S)

Compound Name

N-(diphenylmethyl)-2-{[(4-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,3-oxazole-4-carboxamide

IUPAC name

N-(diphenylmethyl)-2-{[(4-methyl-13-benzoxazol-2-yl)sulfanyl]methyl}-13-oxazole-4-carboxamide

SMILES

Cc1cccc(o2)c1nc2SCc1nc(C(NC(c2ccccc2)c2ccccc2)=O)co1

InChI

InChI=1S/C26H21N3O3S/c1-17-9-8-14-21-23(17)29-26(32-21)33-16-22-27-20(15-31-22)25(30)28-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,24H,16H2,1H3,(H,28,30)

InChI Key

UCLBPAJCRFPRLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14244211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.609

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-5.46

Polar Surface Area

59.300

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

V016-8054 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V016-8054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8054?
Check Price and Availability of V016-8054, 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 V016-8054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8054
  • 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 V016-8054 available by request