C301-6860 Screening compound: N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3,4,5-triethoxy-N-propylbenzamide

C301-6860 Screening compound: N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3,4,5-triethoxy-N-propylbenzamide
C301-6860 Screening compound: N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3,4,5-triethoxy-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6860
N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3,4,5-triethoxy-N-propylbenzamide

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

C301-6860

Molecular Formula

C31H40N2O4S (C31 H40 N2 O4 S)

Compound Name

N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3,4,5-triethoxy-N-propylbenzamide

IUPAC name

N-[4-(4-cyclohexylphenyl)-13-thiazol-2-yl]-345-triethoxy-N-propylbenzamide

SMILES

CCCN(C(c(cc1OCC)cc(OCC)c1OCC)=O)c1nc(-c2ccc(C3CCCCC3)cc2)cs1

InChI

InChI=1S/C31H40N2O4S/c1-5-18-33(30(34)25-19-27(35-6-2)29(37-8-4)28(20-25)36-7-3)31-32-26(21-38-31)24-16-14-23(15-17-24)22-12-10-9-11-13-22/h14-17,19-22H,5-13,18H2,1-4H3

InChI Key

UHFYIKPKVZWYGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.543

Distribution Coefficient, logD

8.543

Water Solubility, LogSw

-5.63

Polar Surface Area

47.026

Acid Dissociation Constant (pKa)

23.74

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

C301-6860 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Infections
  • Immune system
  • animal
  • Cancer
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C301-6860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6860?
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What is the minimum amount of C301-6860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6860
  • 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 C301-6860 available by request