8013-5397 Screening compound: 3-chloro-N~1~-[1-(4-hydroxybenzyl)cyclohexyl]propanamide

8013-5397 Screening compound: 3-chloro-N~1~-[1-(4-hydroxybenzyl)cyclohexyl]propanamide
8013-5397 Screening compound: 3-chloro-N~1~-[1-(4-hydroxybenzyl)cyclohexyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5397
3-chloro-N~1~-[1-(4-hydroxybenzyl)cyclohexyl]propanamide

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

8013-5397

Molecular Formula

C16H22ClNO2 (C16 H22 ClNO2)

Compound Name

3-chloro-N~1~-[1-(4-hydroxybenzyl)cyclohexyl]propanamide

IUPAC name

3-chloro-N-{1-[(4-hydroxyphenyl)methyl]cyclohexyl}propanamide

SMILES

Oc1ccc(CC2(CCCCC2)NC(CCCl)=O)cc1

InChI

InChI=1S/C16H22ClNO2/c17-11-8-15(20)18-16(9-2-1-3-10-16)12-13-4-6-14(19)7-5-13/h4-7,19H,1-3,8-12H2,(H,18,20)

InChI Key

OYDAKCLFKKBAGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.12

Polar Surface Area

42.098

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

References: we are preparing a list of scientific research reports with 8013-5397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5397?
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What is the minimum amount of 8013-5397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5397
  • 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 8013-5397 available by request