8290-04190 Screening compound: N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide

8290-04190 Screening compound: N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide
8290-04190 Screening compound: N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-04190
N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methyl-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

8290-04190

Molecular Formula

C21H16FN5O3 (C21 H16 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc2nn(-c(cc3)ccc3F)nc2cc1NC(c(cc1)cc(C)c1[N+]([O-])=O)=O

InChI

InChI=1S/C21H16FN5O3/c1-12-10-18-19(25-26(24-18)16-6-4-15(22)5-7-16)11-17(12)23-21(28)14-3-8-20(27(29)30)13(2)9-14/h3-11H,1-2H3,(H,23,28)

InChI Key

UYZZEBYMBJHRIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.39

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

4.625

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.48

Polar Surface Area

79.747

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8290-04190 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 8290-04190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-04190?
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What is the minimum amount of 8290-04190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-04190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-04190
  • 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 8290-04190 available by request