M281-4718 Screening compound: 1-[2-(phenylcarbamoyl)ethyl]-N-[4-(propan-2-yl)phenyl]-1H-1,2,3-benzotriazole-5-carboxamide

M281-4718 Screening compound: 1-[2-(phenylcarbamoyl)ethyl]-N-[4-(propan-2-yl)phenyl]-1H-1,2,3-benzotriazole-5-carboxamide
M281-4718 Screening compound: 1-[2-(phenylcarbamoyl)ethyl]-N-[4-(propan-2-yl)phenyl]-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M281-4718
1-[2-(phenylcarbamoyl)ethyl]-N-[4-(propan-2-yl)phenyl]-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

M281-4718

Molecular Formula

C25H25N5O2 (C25 H25 N5 O2)

Compound Name

1-[2-(phenylcarbamoyl)ethyl]-N-[4-(propan-2-yl)phenyl]-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

1-[2-(phenylcarbamoyl)ethyl]-N-[4-(propan-2-yl)phenyl]-1H-123-benzotriazole-5-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(c(cc1)cc2c1n(CCC(Nc1ccccc1)=O)nn2)=O

InChI

InChI=1S/C25H25N5O2/c1-17(2)18-8-11-21(12-9-18)27-25(32)19-10-13-23-22(16-19)28-29-30(23)15-14-24(31)26-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3,(H,26,31)(H,27,32)

InChI Key

BYWJPIPGDRPPGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

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

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.20

Polar Surface Area

71.883

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M281-4718 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M281-4718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M281-4718?
Check Price and Availability of M281-4718, 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 M281-4718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M281-4718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M281-4718
  • 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 M281-4718 available by request