M281-2861 Screening compound: 1-{2-[(2,3-dimethylphenyl)carbamoyl]ethyl}-N-phenyl-1H-1,2,3-benzotriazole-5-carboxamide

M281-2861 Screening compound: 1-{2-[(2,3-dimethylphenyl)carbamoyl]ethyl}-N-phenyl-1H-1,2,3-benzotriazole-5-carboxamide
M281-2861 Screening compound: 1-{2-[(2,3-dimethylphenyl)carbamoyl]ethyl}-N-phenyl-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M281-2861
1-{2-[(2,3-dimethylphenyl)carbamoyl]ethyl}-N-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

M281-2861

Molecular Formula

C24H23N5O2 (C24 H23 N5 O2)

Compound Name

1-{2-[(2,3-dimethylphenyl)carbamoyl]ethyl}-N-phenyl-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

1-{2-[(23-dimethylphenyl)carbamoyl]ethyl}-N-phenyl-1H-123-benzotriazole-5-carboxamide

SMILES

Cc1cccc(NC(CCn2nnc3c2ccc(C(Nc2ccccc2)=O)c3)=O)c1C

InChI

InChI=1S/C24H23N5O2/c1-16-7-6-10-20(17(16)2)26-23(30)13-14-29-22-12-11-18(15-21(22)27-28-29)24(31)25-19-8-4-3-5-9-19/h3-12,15H,13-14H2,1-2H3,(H,25,31)(H,26,30)

InChI Key

LJVYDPWUUYHMKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.78

Polar Surface Area

71.186

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

M281-2861 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M281-2861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M281-2861?
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What is the minimum amount of M281-2861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M281-2861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M281-2861
  • 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 M281-2861 available by request