7819-0515 Screening compound: N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2H-1,3-benzodioxole-5-carboxamide

7819-0515 Screening compound: N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2H-1,3-benzodioxole-5-carboxamide
7819-0515 Screening compound: N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7819-0515
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2H-1,3-benzodioxole-5-carboxamide

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

7819-0515

Molecular Formula

C20H13ClN4O3 (C20 H13 ClN4 O3)

Compound Name

N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(6-chloro-2-phenyl-2H-123-benzotriazol-5-yl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1cc2nn(-c3ccccc3)nc2cc1Cl

InChI

InChI=1S/C20H13ClN4O3/c21-14-9-16-17(24-25(23-16)13-4-2-1-3-5-13)10-15(14)22-20(26)12-6-7-18-19(8-12)28-11-27-18/h1-10H,11H2,(H,22,26)

InChI Key

ONIJBEJILUFKAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04574003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.501

Water Solubility, LogSw

-4.88

Polar Surface Area

63.781

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

7819-0515 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 7819-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7819-0515?
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What is the minimum amount of 7819-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7819-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7819-0515
  • 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 7819-0515 available by request