C094-1849 Screening compound: N-cyclopentyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]propanamido]cyclohexane-1-carboxamide

C094-1849 Screening compound: N-cyclopentyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]propanamido]cyclohexane-1-carboxamide
C094-1849 Screening compound: N-cyclopentyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]propanamido]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1849
N-cyclopentyl-1-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(oxolan-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

C094-1849

Molecular Formula

C34H54N2O4 (C34 H54 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1cc(CCC(N(CC2OCCC2)C2(CCCCC2)C(NC2CCCC2)=O)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C34H54N2O4/c1-32(2,3)27-21-24(22-28(30(27)38)33(4,5)6)16-17-29(37)36(23-26-15-12-20-40-26)34(18-10-7-11-19-34)31(39)35-25-13-8-9-14-25/h21-22,25-26,38H,7-20,23H2,1-6H3,(H,35,39)/t26-/m1/s1

InChI Key

JJUCBDZCIVVKNK-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03450048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.117

Distribution Coefficient, logD

7.117

Water Solubility, LogSw

-5.33

Polar Surface Area

63.517

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.50

C094-1849 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C094-1849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1849?
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What is the minimum amount of C094-1849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1849
  • 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 C094-1849 available by request