C799-0278 Screening compound: 1-[(1-cyclopentyl-2-methyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C799-0278 Screening compound: 1-[(1-cyclopentyl-2-methyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
C799-0278 Screening compound: 1-[(1-cyclopentyl-2-methyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0278
1-[(1-cyclopentyl-2-methyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-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

C799-0278

Molecular Formula

C27H34N4O3S (C27 H34 N4 O3 S)

Compound Name

1-[(1-cyclopentyl-2-methyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-[(1-cyclopentyl-2-methyl-1H-13-benzodiazol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

SMILES

Cc1nc(cc(cc2)S(N(CC3)CCC3C(NCc3ccc(C)cc3)=O)(=O)=O)c2n1C1CCCC1

InChI

InChI=1S/C27H34N4O3S/c1-19-7-9-21(10-8-19)18-28-27(32)22-13-15-30(16-14-22)35(33,34)24-11-12-26-25(17-24)29-20(2)31(26)23-5-3-4-6-23/h7-12,17,22-23H,3-6,13-16,18H2,1-2H3,(H,28,32)

InChI Key

JGPCLFLZAABWEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-3.78

Polar Surface Area

68.011

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

C799-0278 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C799-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0278?
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What is the minimum amount of C799-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0278
  • 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 C799-0278 available by request