C562-1494 Screening compound: N-(2,3-dimethylcyclohexyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

C562-1494 Screening compound: N-(2,3-dimethylcyclohexyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide
C562-1494 Screening compound: N-(2,3-dimethylcyclohexyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1494
N-(2,3-dimethylcyclohexyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

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

C562-1494

Molecular Formula

C25H31N3O5S (C25 H31 N3 O5 S)

Compound Name

N-(2,3-dimethylcyclohexyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

IUPAC name

N-(23-dimethylcyclohexyl)-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-3-phenylpropanamide

SMILES

CC(CCC1)C(C)C1NC(C(Cc1ccccc1)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C25H31N3O5S/c1-16-8-7-11-20(17(16)2)26-24(29)21(14-18-9-5-4-6-10-18)27-34(31,32)19-12-13-22-23(15-19)33-25(30)28(22)3/h4-6,9-10,12-13,15-17,20-21,27H,7-8,11,14H2,1-3H3,(H,26,29)

InChI Key

FNRVWKKRQYKSTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.10

Polar Surface Area

89.235

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

44.00

C562-1494 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C562-1494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1494?
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What is the minimum amount of C562-1494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1494
  • 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 C562-1494 available by request