M281-4586 Screening compound: N-cyclohexyl-1-{2-[(4-ethylphenyl)carbamoyl]ethyl}-1H-1,2,3-benzotriazole-5-carboxamide

M281-4586 Screening compound: N-cyclohexyl-1-{2-[(4-ethylphenyl)carbamoyl]ethyl}-1H-1,2,3-benzotriazole-5-carboxamide
M281-4586 Screening compound: N-cyclohexyl-1-{2-[(4-ethylphenyl)carbamoyl]ethyl}-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M281-4586
N-cyclohexyl-1-{2-[(4-ethylphenyl)carbamoyl]ethyl}-1H-1,2,3-benzotriazole-5-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

M281-4586

Molecular Formula

C24H29N5O2 (C24 H29 N5 O2)

Compound Name

N-cyclohexyl-1-{2-[(4-ethylphenyl)carbamoyl]ethyl}-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

N-cyclohexyl-1-{2-[(4-ethylphenyl)carbamoyl]ethyl}-1H-123-benzotriazole-5-carboxamide

SMILES

CCc(cc1)ccc1NC(CCn1nnc2c1ccc(C(NC1CCCCC1)=O)c2)=O

InChI

InChI=1S/C24H29N5O2/c1-2-17-8-11-20(12-9-17)25-23(30)14-15-29-22-13-10-18(16-21(22)27-28-29)24(31)26-19-6-4-3-5-7-19/h8-13,16,19H,2-7,14-15H2,1H3,(H,25,30)(H,26,31)

InChI Key

XGMDUWHUJZETHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.02

Polar Surface Area

72.931

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

M281-4586 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with M281-4586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M281-4586?
Check Price and Availability of M281-4586, 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 M281-4586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M281-4586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M281-4586
  • 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 M281-4586 available by request