C094-1909 Screening compound: N-cyclopentyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(4-methylphenyl)propanamido]cyclohexane-1-carboxamide

C094-1909 Screening compound: N-cyclopentyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(4-methylphenyl)propanamido]cyclohexane-1-carboxamide
C094-1909 Screening compound: N-cyclopentyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(4-methylphenyl)propanamido]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1909
N-cyclopentyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(4-methylphenyl)propanamido]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

C094-1909

Molecular Formula

C36H52N2O3 (C36 H52 N2 O3)

Compound Name

N-cyclopentyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(4-methylphenyl)propanamido]cyclohexane-1-carboxamide

IUPAC name

N-cyclopentyl-1-[3-(35-di-tert-butyl-4-hydroxyphenyl)-N-(4-methylphenyl)propanamido]cyclohexane-1-carboxamide

SMILES

CC(C)(C)c1cc(CCC(N(C2(CCCCC2)C(NC2CCCC2)=O)c2ccc(C)cc2)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C36H52N2O3/c1-25-15-18-28(19-16-25)38(36(21-11-8-12-22-36)33(41)37-27-13-9-10-14-27)31(39)20-17-26-23-29(34(2,3)4)32(40)30(24-26)35(5,6)7/h15-16,18-19,23-24,27,40H,8-14,17,20-22H2,1-7H3,(H,37,41)

InChI Key

BLGPQHJRJVBLIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.441

Distribution Coefficient, logD

8.441

Water Solubility, LogSw

-5.41

Polar Surface Area

54.382

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

C094-1909 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

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:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C094-1909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1909?
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What is the minimum amount of C094-1909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1909
  • 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 C094-1909 available by request