C517-4022 Screening compound: N-(diphenylmethyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

C517-4022 Screening compound: N-(diphenylmethyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide
C517-4022 Screening compound: N-(diphenylmethyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-4022
N-(diphenylmethyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

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

C517-4022

Molecular Formula

C27H27N3O5S (C27 H27 N3 O5 S)

Compound Name

N-(diphenylmethyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

IUPAC name

N-(diphenylmethyl)-2-[N-(4-methoxyphenyl)35-dimethyl-12-oxazole-4-sulfonamido]acetamide

SMILES

Cc1noc(C)c1S(N(CC(NC(c1ccccc1)c1ccccc1)=O)c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C27H27N3O5S/c1-19-27(20(2)35-29-19)36(32,33)30(23-14-16-24(34-3)17-15-23)18-25(31)28-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,26H,18H2,1-3H3,(H,28,31)

InChI Key

MUJSLXUQPFBPMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.03

Polar Surface Area

84.926

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C517-4022 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C517-4022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-4022?
Check Price and Availability of C517-4022, 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 C517-4022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-4022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-4022
  • 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 C517-4022 available by request