7840-3988 Screening compound: 2-chloro-N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide

7840-3988 Screening compound: 2-chloro-N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide
7840-3988 Screening compound: 2-chloro-N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3988
2-chloro-N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide

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

7840-3988

Molecular Formula

C20H13ClFN5O3 (C20 H13 ClFN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc2nn(-c(cc3)ccc3F)nc2cc1NC(c(ccc([N+]([O-])=O)c1)c1Cl)=O

InChI

InChI=1S/C20H13ClFN5O3/c1-11-8-18-19(25-26(24-18)13-4-2-12(22)3-5-13)10-17(11)23-20(28)15-7-6-14(27(29)30)9-16(15)21/h2-10H,1H3,(H,23,28)

InChI Key

LBHWZFMNSNCZRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.682

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-5.02

Polar Surface Area

80.048

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 7840-3988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3988?
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What is the minimum amount of 7840-3988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3988
  • 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 7840-3988 available by request