2202-0896 Screening compound: 1-(3-methyl-4-nitrobenzoyl)-1H-1,2,3-benzotriazole

2202-0896 Screening compound: 1-(3-methyl-4-nitrobenzoyl)-1H-1,2,3-benzotriazole
2202-0896 Screening compound: 1-(3-methyl-4-nitrobenzoyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2202-0896
1-(3-methyl-4-nitrobenzoyl)-1H-1,2,3-benzotriazole

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

2202-0896

Molecular Formula

C14H10N4O3 (C14 H10 N4 O3)

Compound Name

1-(3-methyl-4-nitrobenzoyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(3-methyl-4-nitrobenzoyl)-1H-123-benzotriazole

SMILES

Cc(cc(cc1)C(n2nnc3c2cccc3)=O)c1[N+]([O-])=O

InChI

InChI=1S/C14H10N4O3/c1-9-8-10(6-7-12(9)18(20)21)14(19)17-13-5-3-2-4-11(13)15-16-17/h2-8H,1H3

InChI Key

VMNGCPXOMQSLBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

2.457

Water Solubility, LogSw

-2.65

Polar Surface Area

72.077

Acid Dissociation Constant (pKa)

27.64

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 2202-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2202-0896?
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What is the minimum amount of 2202-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2202-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2202-0896
  • 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 2202-0896 available by request