J057-1110 Screening compound: 2-[N-methyl4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamido]acetic acid

J057-1110 Screening compound: 2-[N-methyl4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamido]acetic acid
J057-1110 Screening compound: 2-[N-methyl4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamido]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-1110
2-[N-methyl4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamido]acetic acid

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

J057-1110

Molecular Formula

C17H14ClN3O5S (C17 H14 ClN3 O5 S)

Compound Name

2-[N-methyl4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamido]acetic acid

IUPAC name

2-[N-methyl4-chloro-3-(5-phenyl-134-oxadiazol-2-yl)benzenesulfonamido]acetic acid

SMILES

CN(CC(O)=O)S(c(cc1)cc(-c2nnc(-c3ccccc3)o2)c1Cl)(=O)=O

InChI

InChI=1S/C17H14ClN3O5S/c1-21(10-15(22)23)27(24,25)12-7-8-14(18)13(9-12)17-20-19-16(26-17)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,22,23)

InChI Key

NIBMZYWKKFMNDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.83

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.716

Distribution Coefficient, logD

-2.284

Water Solubility, LogSw

-3.11

Polar Surface Area

91.702

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

J057-1110 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J057-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-1110?
Check Price and Availability of J057-1110, 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 J057-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-1110
  • 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 J057-1110 available by request