0938-8113 Screening compound: N-(5-bromopyridin-2-yl)-4-propylcyclohexane-1-carboxamide

0938-8113 Screening compound: N-(5-bromopyridin-2-yl)-4-propylcyclohexane-1-carboxamide
0938-8113 Screening compound: N-(5-bromopyridin-2-yl)-4-propylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0938-8113
N-(5-bromopyridin-2-yl)-4-propylcyclohexane-1-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

0938-8113

Molecular Formula

C15H21BrN2O (C15 H21 BrN2 O)

Compound Name

N-(5-bromopyridin-2-yl)-4-propylcyclohexane-1-carboxamide

IUPAC name

N-(5-bromopyridin-2-yl)-4-propylcyclohexane-1-carboxamide

SMILES

CCCC(CC1)CCC1C(Nc(cc1)ncc1Br)=O

InChI

InChI=1S/C15H21BrN2O/c1-2-3-11-4-6-12(7-5-11)15(19)18-14-9-8-13(16)10-17-14/h8-12H,2-7H2,1H3,(H,17,18,19)

InChI Key

OWJYGGIOCFYQHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.022

Water Solubility, LogSw

-4.50

Polar Surface Area

33.226

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

0938-8113 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0938-8113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0938-8113?
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What is the minimum amount of 0938-8113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0938-8113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0938-8113
  • 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 0938-8113 available by request