K786-4479 Screening compound: 1-cyclohexyl-2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-5-(piperidine-1-carbonyl)-1H-1,3-benzodiazole

K786-4479 Screening compound: 1-cyclohexyl-2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-5-(piperidine-1-carbonyl)-1H-1,3-benzodiazole
K786-4479 Screening compound: 1-cyclohexyl-2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-5-(piperidine-1-carbonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4479
1-cyclohexyl-2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-5-(piperidine-1-carbonyl)-1H-1,3-benzodiazole

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

K786-4479

Molecular Formula

C31H40N4O3S (C31 H40 N4 O3 S)

Compound Name

1-cyclohexyl-2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-5-(piperidine-1-carbonyl)-1H-1,3-benzodiazole

IUPAC name

1-cyclohexyl-2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-5-(piperidine-1-carbonyl)-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1S(N(CC1)CCC1c1nc(cc(cc2)C(N3CCCCC3)=O)c2n1C1CCCCC1)(=O)=O

InChI

InChI=1S/C31H40N4O3S/c1-23-10-13-27(14-11-23)39(37,38)34-20-16-24(17-21-34)30-32-28-22-25(31(36)33-18-6-3-7-19-33)12-15-29(28)35(30)26-8-4-2-5-9-26/h10-15,22,24,26H,2-9,16-21H2,1H3

InChI Key

ZGEQHYDDAYFSRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.701

Distribution Coefficient, logD

5.701

Water Solubility, LogSw

-5.28

Polar Surface Area

58.831

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.80

K786-4479 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K786-4479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4479?
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What is the minimum amount of K786-4479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4479
  • 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 K786-4479 available by request