K629-0171 Screening compound: 3-chloro-N-{4-[5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenyl}benzamide

K629-0171 Screening compound: 3-chloro-N-{4-[5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenyl}benzamide
K629-0171 Screening compound: 3-chloro-N-{4-[5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K629-0171
3-chloro-N-{4-[5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenyl}benzamide

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

K629-0171

Molecular Formula

C22H15ClN4O4 (C22 H15 ClN4 O4)

Compound Name

3-chloro-N-{4-[5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenyl}benzamide

IUPAC name

3-chloro-N-{4-[5-(4-methyl-3-nitrophenyl)-124-oxadiazol-3-yl]phenyl}benzamide

SMILES

Cc(ccc(-c1nc(-c(cc2)ccc2NC(c2cccc(Cl)c2)=O)no1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H15ClN4O4/c1-13-5-6-16(12-19(13)27(29)30)22-25-20(26-31-22)14-7-9-18(10-8-14)24-21(28)15-3-2-4-17(23)11-15/h2-12H,1H3,(H,24,28)

InChI Key

TVXUUWLUCSRYBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.974

Distribution Coefficient, logD

5.973

Water Solubility, LogSw

-6.16

Polar Surface Area

87.816

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

K629-0171 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K629-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K629-0171?
Check Price and Availability of K629-0171, 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 K629-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K629-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K629-0171
  • 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 K629-0171 available by request