C094-1981 Screening compound: N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]cyclohexane-1-carboxamide

C094-1981 Screening compound: N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]cyclohexane-1-carboxamide
C094-1981 Screening compound: N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1981
N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]cyclohexane-1-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

C094-1981

Molecular Formula

C31H50N2O3 (C31 H50 N2 O3)

Compound Name

N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]cyclohexane-1-carboxamide

IUPAC name

N-cyclohexyl-1-[3-(35-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]cyclohexane-1-carboxamide

SMILES

CC(C)(C)c1cc(CCC(N(C)C2(CCCCC2)C(NC2CCCCC2)=O)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C31H50N2O3/c1-29(2,3)24-20-22(21-25(27(24)35)30(4,5)6)16-17-26(34)33(7)31(18-12-9-13-19-31)28(36)32-23-14-10-8-11-15-23/h20-21,23,35H,8-19H2,1-7H3,(H,32,36)

InChI Key

ABZVYCQQUKXCJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.031

Distribution Coefficient, logD

7.031

Water Solubility, LogSw

-5.40

Polar Surface Area

54.514

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

74.20

C094-1981 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C094-1981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1981?
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What is the minimum amount of C094-1981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1981
  • 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 C094-1981 available by request