7840-3911 Screening compound: N-[2-(4-butylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethylbenzamide

7840-3911 Screening compound: N-[2-(4-butylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethylbenzamide
7840-3911 Screening compound: N-[2-(4-butylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3911
N-[2-(4-butylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethylbenzamide

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

7840-3911

Molecular Formula

C26H28N4O (C26 H28 N4 O)

Compound Name

N-[2-(4-butylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-ethylbenzamide

IUPAC name

N-[2-(4-butylphenyl)-6-methyl-2H-123-benzotriazol-5-yl]-4-ethylbenzamide

SMILES

CCCCc(cc1)ccc1-n1nc(cc(c(C)c2)NC(c3ccc(CC)cc3)=O)c2n1

InChI

InChI=1S/C26H28N4O/c1-4-6-7-20-10-14-22(15-11-20)30-28-24-16-18(3)23(17-25(24)29-30)27-26(31)21-12-8-19(5-2)9-13-21/h8-17H,4-7H2,1-3H3,(H,27,31)

InChI Key

PRCZTZKIYCLYNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.077

Distribution Coefficient, logD

7.046

Water Solubility, LogSw

-5.58

Polar Surface Area

46.666

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 7840-3911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3911?
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What is the minimum amount of 7840-3911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3911
  • 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 7840-3911 available by request