2810-3383 Screening compound: 4-tert-butyl-N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

2810-3383 Screening compound: 4-tert-butyl-N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
2810-3383 Screening compound: 4-tert-butyl-N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2810-3383
4-tert-butyl-N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

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

2810-3383

Molecular Formula

C24H23ClN4O (C24 H23 ClN4 O)

Compound Name

4-tert-butyl-N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

IUPAC name

4-tert-butyl-N-[2-(3-chloro-4-methylphenyl)-2H-123-benzotriazol-5-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1cc2nn(-c3cc(Cl)c(C)cc3)nc2cc1)=O

InChI

InChI=1S/C24H23ClN4O/c1-15-5-11-19(14-20(15)25)29-27-21-12-10-18(13-22(21)28-29)26-23(30)16-6-8-17(9-7-16)24(2,3)4/h5-14H,1-4H3,(H,26,30)

InChI Key

NZVHJTXDWUBLJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.314

Distribution Coefficient, logD

7.295

Water Solubility, LogSw

-6.60

Polar Surface Area

47.364

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

2810-3383 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 2810-3383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2810-3383?
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What is the minimum amount of 2810-3383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2810-3383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2810-3383
  • 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 2810-3383 available by request