C226-2957 Screening compound: N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

C226-2957 Screening compound: N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
C226-2957 Screening compound: N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-(propan-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-2957
N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-(propan-2-yl)-1,2-oxazole-3-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

C226-2957

Molecular Formula

C18H19ClN4O2 (C18 H19 ClN4 O2)

Compound Name

N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-(propan-2-yl)-12-oxazole-3-carboxamide

SMILES

CC(C)c1cc(C(Nc2nn(Cc(cc3)ccc3Cl)c(C)c2)=O)no1

InChI

InChI=1S/C18H19ClN4O2/c1-11(2)16-9-15(22-25-16)18(24)20-17-8-12(3)23(21-17)10-13-4-6-14(19)7-5-13/h4-9,11H,10H2,1-3H3,(H,20,21,24)

InChI Key

LBCBQGSDTFMJOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.39

Polar Surface Area

59.633

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C226-2957 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C226-2957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-2957?
Check Price and Availability of C226-2957, 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 C226-2957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-2957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-2957
  • 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 C226-2957 available by request