C094-1957 Screening compound: N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(thiophen-2-yl)methyl]propanamido]cyclohexane-1-carboxamide

C094-1957 Screening compound: N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(thiophen-2-yl)methyl]propanamido]cyclohexane-1-carboxamide
C094-1957 Screening compound: N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(thiophen-2-yl)methyl]propanamido]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1957
N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(thiophen-2-yl)methyl]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

C094-1957

Molecular Formula

C35H52N2O3S (C35 H52 N2 O3 S)

Compound Name

N-cyclohexyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(thiophen-2-yl)methyl]propanamido]cyclohexane-1-carboxamide

IUPAC name

N-cyclohexyl-1-[3-(35-di-tert-butyl-4-hydroxyphenyl)-N-[(thiophen-2-yl)methyl]propanamido]cyclohexane-1-carboxamide

SMILES

CC(C)(C)c1cc(CCC(N(Cc2cccs2)C2(CCCCC2)C(NC2CCCCC2)=O)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C35H52N2O3S/c1-33(2,3)28-22-25(23-29(31(28)39)34(4,5)6)17-18-30(38)37(24-27-16-13-21-41-27)35(19-11-8-12-20-35)32(40)36-26-14-9-7-10-15-26/h13,16,21-23,26,39H,7-12,14-15,17-20,24H2,1-6H3,(H,36,40)

InChI Key

XFIQFCSDHQOCHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.786

Distribution Coefficient, logD

8.786

Water Solubility, LogSw

-5.38

Polar Surface Area

55.515

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.70

C094-1957 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C094-1957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1957?
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What is the minimum amount of C094-1957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1957
  • 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 C094-1957 available by request