7840-4037 Screening compound: N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-(2-methylpropoxy)benzamide

7840-4037 Screening compound: N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-(2-methylpropoxy)benzamide
7840-4037 Screening compound: N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-(2-methylpropoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-4037
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-(2-methylpropoxy)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

7840-4037

Molecular Formula

C23H21ClN4O2 (C23 H21 ClN4 O2)

Compound Name

N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-(2-methylpropoxy)benzamide

IUPAC name

N-(6-chloro-2-phenyl-2H-123-benzotriazol-5-yl)-4-(2-methylpropoxy)benzamide

SMILES

CC(C)COc(cc1)ccc1C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)=O

InChI

InChI=1S/C23H21ClN4O2/c1-15(2)14-30-18-10-8-16(9-11-18)23(29)25-20-13-22-21(12-19(20)24)26-28(27-22)17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,25,29)

InChI Key

ULVAZAAEJIEJOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.983

Distribution Coefficient, logD

5.618

Water Solubility, LogSw

-6.12

Polar Surface Area

54.165

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

7840-4037 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7840-4037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-4037?
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What is the minimum amount of 7840-4037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-4037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-4037
  • 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 7840-4037 available by request