C094-1777 Screening compound: N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamido]-2-methylbutanamide

C094-1777 Screening compound: N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamido]-2-methylbutanamide
C094-1777 Screening compound: N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamido]-2-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1777
N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamido]-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

C094-1777

Molecular Formula

C28H46N2O3 (C28 H46 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H46N2O3/c1-9-28(8,25(33)29-20-13-11-10-12-14-20)30-23(31)16-15-19-17-21(26(2,3)4)24(32)22(18-19)27(5,6)7/h17-18,20,32H,9-16H2,1-8H3,(H,29,33)(H,30,31)/t28-/m0/s1

InChI Key

ALWAFTWIRYEGQW-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD03828708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.271

Distribution Coefficient, logD

6.270

Water Solubility, LogSw

-5.13

Polar Surface Area

63.808

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

References: we are preparing a list of scientific research reports with C094-1777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1777?
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What is the minimum amount of C094-1777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1777
  • 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 C094-1777 available by request