C751-0366 Screening compound: 1-(4-bromobenzenesulfonyl)-N-(2-methylcyclohexyl)-1,2,3,6-tetrahydropyridine-4-carboxamide

C751-0366 Screening compound: 1-(4-bromobenzenesulfonyl)-N-(2-methylcyclohexyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
C751-0366 Screening compound: 1-(4-bromobenzenesulfonyl)-N-(2-methylcyclohexyl)-1,2,3,6-tetrahydropyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C751-0366
1-(4-bromobenzenesulfonyl)-N-(2-methylcyclohexyl)-1,2,3,6-tetrahydropyridine-4-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

C751-0366

Molecular Formula

C19H25BrN2O3S (C19 H25 BrN2 O3 S)

Compound Name

1-(4-bromobenzenesulfonyl)-N-(2-methylcyclohexyl)-1,2,3,6-tetrahydropyridine-4-carboxamide

IUPAC name

1-(4-bromobenzenesulfonyl)-N-(2-methylcyclohexyl)-1236-tetrahydropyridine-4-carboxamide

SMILES

CC(CCCC1)C1NC(C(CC1)=CCN1S(c(cc1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C19H25BrN2O3S/c1-14-4-2-3-5-18(14)21-19(23)15-10-12-22(13-11-15)26(24,25)17-8-6-16(20)7-9-17/h6-10,14,18H,2-5,11-13H2,1H3,(H,21,23)

InChI Key

JQPHEBJJUFZPCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.469

Water Solubility, LogSw

-4.09

Polar Surface Area

56.478

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.60

C751-0366 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C751-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C751-0366?
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What is the minimum amount of C751-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C751-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C751-0366
  • 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 C751-0366 available by request