7840-4002 Screening compound: N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-(2-methylpropoxy)benzamide

7840-4002 Screening compound: N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-(2-methylpropoxy)benzamide
7840-4002 Screening compound: N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-(2-methylpropoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-4002
N-[2-(4-fluorophenyl)-6-methyl-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

7840-4002

Molecular Formula

C24H23FN4O2 (C24 H23 FN4 O2)

Compound Name

N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-(2-methylpropoxy)benzamide

IUPAC name

N-[2-(4-fluorophenyl)-6-methyl-2H-123-benzotriazol-5-yl]-4-(2-methylpropoxy)benzamide

SMILES

CC(C)COc(cc1)ccc1C(Nc1cc2nn(-c(cc3)ccc3F)nc2cc1C)=O

InChI

InChI=1S/C24H23FN4O2/c1-15(2)14-31-20-10-4-17(5-11-20)24(30)26-21-13-23-22(12-16(21)3)27-29(28-23)19-8-6-18(25)7-9-19/h4-13,15H,14H2,1-3H3,(H,26,30)

InChI Key

JNSLWXRALKMYLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

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

5.489

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.44

Polar Surface Area

54.165

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

7840-4002 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 7840-4002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-4002?
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What is the minimum amount of 7840-4002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-4002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-4002
  • 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 7840-4002 available by request