C094-1948 Screening compound: N-cyclohexyl-1-[2-(phenylformamido)-N-[(thiophen-2-yl)methyl]acetamido]cyclohexane-1-carboxamide

C094-1948 Screening compound: N-cyclohexyl-1-[2-(phenylformamido)-N-[(thiophen-2-yl)methyl]acetamido]cyclohexane-1-carboxamide
C094-1948 Screening compound: N-cyclohexyl-1-[2-(phenylformamido)-N-[(thiophen-2-yl)methyl]acetamido]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1948
N-cyclohexyl-1-[2-(phenylformamido)-N-[(thiophen-2-yl)methyl]acetamido]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

C094-1948

Molecular Formula

C27H35N3O3S (C27 H35 N3 O3 S)

Compound Name

N-cyclohexyl-1-[2-(phenylformamido)-N-[(thiophen-2-yl)methyl]acetamido]cyclohexane-1-carboxamide

IUPAC name

N-cyclohexyl-1-[2-(phenylformamido)-N-[(thiophen-2-yl)methyl]acetamido]cyclohexane-1-carboxamide

SMILES

O=C(CNC(c1ccccc1)=O)N(Cc1cccs1)C1(CCCCC1)C(NC1CCCCC1)=O

InChI

InChI=1S/C27H35N3O3S/c31-24(19-28-25(32)21-11-4-1-5-12-21)30(20-23-15-10-18-34-23)27(16-8-3-9-17-27)26(33)29-22-13-6-2-7-14-22/h1,4-5,10-12,15,18,22H,2-3,6-9,13-14,16-17,19-20H2,(H,28,32)(H,29,33)

InChI Key

CSWYKAXBGFAWKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-4.67

Polar Surface Area

64.720

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

C094-1948 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C094-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1948?
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What is the minimum amount of C094-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1948
  • 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 C094-1948 available by request