1778-0705 Screening compound: 1-(2-chloro-4-nitrobenzoyl)-1H-1,2,3-benzotriazole

1778-0705 Screening compound: 1-(2-chloro-4-nitrobenzoyl)-1H-1,2,3-benzotriazole
1778-0705 Screening compound: 1-(2-chloro-4-nitrobenzoyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-0705
1-(2-chloro-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

1778-0705

Molecular Formula

C13H7ClN4O3 (C13 H7 ClN4 O3)

Compound Name

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

IUPAC name

1-(2-chloro-4-nitrobenzoyl)-1H-123-benzotriazole

SMILES

[O-][N+](c(cc1)cc(Cl)c1C(n1nnc2c1cccc2)=O)=O

InChI

InChI=1S/C13H7ClN4O3/c14-10-7-8(18(20)21)5-6-9(10)13(19)17-12-4-2-1-3-11(12)15-16-17/h1-7H

InChI Key

OCBLWHJZYFQUMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.68

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

2.417

Distribution Coefficient, logD

2.417

Water Solubility, LogSw

-3.41

Polar Surface Area

72.378

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1778-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-0705?
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What is the minimum amount of 1778-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-0705
  • 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 1778-0705 available by request