C436-2218 Screening compound: N-(4-chloro-2-fluorophenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

C436-2218 Screening compound: N-(4-chloro-2-fluorophenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide
C436-2218 Screening compound: N-(4-chloro-2-fluorophenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-2218
N-(4-chloro-2-fluorophenyl)-2-[N-(4-methylphenyl)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

C436-2218

Molecular Formula

C20H19ClFN3O4S (C20 H19 ClFN3 O4 S)

Compound Name

N-(4-chloro-2-fluorophenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-2-[N-(4-methylphenyl)35-dimethyl-12-oxazole-4-sulfonamido]acetamide

SMILES

Cc1noc(C)c1S(N(CC(Nc(ccc(Cl)c1)c1F)=O)c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C20H19ClFN3O4S/c1-12-4-7-16(8-5-12)25(30(27,28)20-13(2)24-29-14(20)3)11-19(26)23-18-9-6-15(21)10-17(18)22/h4-10H,11H2,1-3H3,(H,23,26)

InChI Key

WJYIDAMGHPFYEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-4.32

Polar Surface Area

76.282

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C436-2218 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C436-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-2218?
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What is the minimum amount of C436-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-2218
  • 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 C436-2218 available by request