F019-0696 Screening compound: N-[6-chloro-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4,5-trimethoxybenzamide

F019-0696 Screening compound: N-[6-chloro-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4,5-trimethoxybenzamide
F019-0696 Screening compound: N-[6-chloro-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-0696
N-[6-chloro-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4,5-trimethoxybenzamide

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

F019-0696

Molecular Formula

C23H21ClN4O4 (C23 H21 ClN4 O4)

Compound Name

N-[6-chloro-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[6-chloro-2-(4-methylphenyl)-2H-123-benzotriazol-5-yl]-345-trimethoxybenzamide

SMILES

Cc(cc1)ccc1-n1nc(cc(c(NC(c(cc2OC)cc(OC)c2OC)=O)c2)Cl)c2n1

InChI

InChI=1S/C23H21ClN4O4/c1-13-5-7-15(8-6-13)28-26-18-11-16(24)17(12-19(18)27-28)25-23(29)14-9-20(30-2)22(32-4)21(10-14)31-3/h5-12H,1-4H3,(H,25,29)

InChI Key

GOQAPODPEJAPJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03079814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.027

Distribution Coefficient, logD

4.993

Water Solubility, LogSw

-5.34

Polar Surface Area

69.644

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F019-0696 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F019-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-0696?
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What is the minimum amount of F019-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-0696
  • 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 F019-0696 available by request