K788-2738 Screening compound: N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-4-methylbenzene-1-sulfonamide

K788-2738 Screening compound: N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-4-methylbenzene-1-sulfonamide
K788-2738 Screening compound: N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2738
N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-4-methylbenzene-1-sulfonamide

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

K788-2738

Molecular Formula

C21H32N2O3S (C21 H32 N2 O3 S)

Compound Name

N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-4-methylbenzene-1-sulfonamide

IUPAC name

N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCC(CC1)CCC1C(N1CCCCCC1)=O)(=O)=O

InChI

InChI=1S/C21H32N2O3S/c1-17-6-12-20(13-7-17)27(25,26)22-16-18-8-10-19(11-9-18)21(24)23-14-4-2-3-5-15-23/h6-7,12-13,18-19,22H,2-5,8-11,14-16H2,1H3

InChI Key

SCTYBARBYXRQLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.17

Polar Surface Area

59.168

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

K788-2738 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K788-2738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2738?
Check Price and Availability of K788-2738, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K788-2738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2738
  • 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 K788-2738 available by request