1812-1455 Screening compound: N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-nitrobenzamide

1812-1455 Screening compound: N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-nitrobenzamide
1812-1455 Screening compound: N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-1455
N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-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

1812-1455

Molecular Formula

C20H15N5O4 (C20 H15 N5 O4)

Compound Name

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

IUPAC name

N-[2-(4-methoxyphenyl)-2H-123-benzotriazol-5-yl]-3-nitrobenzamide

SMILES

COc(cc1)ccc1-n1nc(cc(cc2)NC(c3cccc([N+]([O-])=O)c3)=O)c2n1

InChI

InChI=1S/C20H15N5O4/c1-29-17-8-6-15(7-9-17)24-22-18-10-5-14(12-19(18)23-24)21-20(26)13-3-2-4-16(11-13)25(27)28/h2-12H,1H3,(H,21,26)

InChI Key

WUQPKGBKPLZHCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01064046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.58

Polar Surface Area

88.289

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

1812-1455 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1812-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-1455?
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What is the minimum amount of 1812-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-1455
  • 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 1812-1455 available by request