K834-3712 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-fluorophenyl)sulfanyl]-5-(morpholine-4-sulfonyl)benzamide

K834-3712 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-fluorophenyl)sulfanyl]-5-(morpholine-4-sulfonyl)benzamide
K834-3712 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-fluorophenyl)sulfanyl]-5-(morpholine-4-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K834-3712
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-fluorophenyl)sulfanyl]-5-(morpholine-4-sulfonyl)benzamide

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

K834-3712

Molecular Formula

C25H29FN2O4S2 (C25 H29 FN2 O4 S2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-fluorophenyl)sulfanyl]-5-(morpholine-4-sulfonyl)benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-fluorophenyl)sulfanyl]-5-(morpholine-4-sulfonyl)benzamide

SMILES

O=C(c(cc(cc1)S(N2CCOCC2)(=O)=O)c1Sc(cc1)ccc1F)NCCC1=CCCCC1

InChI

InChI=1S/C25H29FN2O4S2/c26-20-6-8-21(9-7-20)33-24-11-10-22(34(30,31)28-14-16-32-17-15-28)18-23(24)25(29)27-13-12-19-4-2-1-3-5-19/h4,6-11,18H,1-3,5,12-17H2,(H,27,29)

InChI Key

HFDXHUKEAROXBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.69

Polar Surface Area

64.033

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K834-3712 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)

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 K834-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K834-3712?
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What is the minimum amount of K834-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K834-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K834-3712
  • 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 K834-3712 available by request