C094-1789 Screening compound: N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]-2-methylbutanamide

C094-1789 Screening compound: N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]-2-methylbutanamide
C094-1789 Screening compound: N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]-2-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1789
N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]-2-methylbutanamide

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

C094-1789

Molecular Formula

C29H48N2O3 (C29 H48 N2 O3)

Compound Name

N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]-2-methylbutanamide

IUPAC name

N-cyclohexyl-2-[3-(35-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamido]-2-methylbutanamide

SMILES

CCC(C)(C(NC1CCCCC1)=O)N(C)C(CCc(cc1C(C)(C)C)cc(C(C)(C)C)c1O)=O

InChI

InChI=1S/C29H48N2O3/c1-10-29(8,26(34)30-21-14-12-11-13-15-21)31(9)24(32)17-16-20-18-22(27(2,3)4)25(33)23(19-20)28(5,6)7/h18-19,21,33H,10-17H2,1-9H3,(H,30,34)/t29-/m0/s1

InChI Key

JGBMEMJLNDYWEQ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03828715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.71

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

6.461

Distribution Coefficient, logD

6.461

Water Solubility, LogSw

-5.38

Polar Surface Area

54.869

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.40

References: we are preparing a list of scientific research reports with C094-1789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1789?
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What is the minimum amount of C094-1789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1789
  • 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 C094-1789 available by request