C094-1808 Screening compound: N-cyclohexyl-2-methyl-2-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]butanamide

C094-1808 Screening compound: N-cyclohexyl-2-methyl-2-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]butanamide
C094-1808 Screening compound: N-cyclohexyl-2-methyl-2-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1808
N-cyclohexyl-2-methyl-2-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]butanamide

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

C094-1808

Molecular Formula

C24H32N2O2S (C24 H32 N2 O2 S)

Compound Name

N-cyclohexyl-2-methyl-2-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]butanamide

IUPAC name

N-cyclohexyl-2-methyl-2-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]butanamide

SMILES

CCC(C)(C(NC1CCCCC1)=O)N(C(Cc1cccs1)=O)c1ccc(C)cc1

InChI

InChI=1S/C24H32N2O2S/c1-4-24(3,23(28)25-19-9-6-5-7-10-19)26(20-14-12-18(2)13-15-20)22(27)17-21-11-8-16-29-21/h8,11-16,19H,4-7,9-10,17H2,1-3H3,(H,25,28)/t24-/m0/s1

InChI Key

GRNQISDHZOULMY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03828728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.135

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-4.85

Polar Surface Area

39.910

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C094-1808 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C094-1808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1808?
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What is the minimum amount of C094-1808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1808
  • 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 C094-1808 available by request