C094-1753 Screening compound: N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]propanamido]-2-methylbutanamide

C094-1753 Screening compound: N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]propanamido]-2-methylbutanamide
C094-1753 Screening compound: N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]propanamido]-2-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1753
N-cyclohexyl-2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]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

C094-1753

Molecular Formula

C33H54N2O4 (C33 H54 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)(C(NC1CCCCC1)=O)N(CC1OCCC1)C(CCc(cc1C(C)(C)C)cc(C(C)(C)C)c1O)=O

InChI

InChI=1S/C33H54N2O4/c1-9-33(8,30(38)34-24-14-11-10-12-15-24)35(22-25-16-13-19-39-25)28(36)18-17-23-20-26(31(2,3)4)29(37)27(21-23)32(5,6)7/h20-21,24-25,37H,9-19,22H2,1-8H3,(H,34,38)

InChI Key

FYSVFJRXSWNIJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.003

Distribution Coefficient, logD

7.003

Water Solubility, LogSw

-5.40

Polar Surface Area

63.506

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.80

C094-1753 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C094-1753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1753?
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What is the minimum amount of C094-1753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1753
  • 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 C094-1753 available by request