7840-3894 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide

7840-3894 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide
7840-3894 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3894
N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-methyl-3-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

7840-3894

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

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

IUPAC name

N-[2-(4-ethylphenyl)-6-methyl-2H-123-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide

SMILES

CCc(cc1)ccc1-n1nc(cc(c(C)c2)NC(c3cccc([N+]([O-])=O)c3C)=O)c2n1

InChI

InChI=1S/C23H21N5O3/c1-4-16-8-10-17(11-9-16)27-25-20-12-14(2)19(13-21(20)26-27)24-23(29)18-6-5-7-22(15(18)3)28(30)31/h5-13H,4H2,1-3H3,(H,24,29)

InChI Key

OUTUQJFGFGTFQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.349

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-5.40

Polar Surface Area

79.747

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

7840-3894 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 7840-3894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3894?
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What is the minimum amount of 7840-3894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3894
  • 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 7840-3894 available by request