3800-1357 Screening compound: N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4,5-trimethoxybenzamide

3800-1357 Screening compound: N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4,5-trimethoxybenzamide
3800-1357 Screening compound: N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3800-1357
N-[2-(4-fluorophenyl)-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

3800-1357

Molecular Formula

C22H19FN4O4 (C22 H19 FN4 O4)

Compound Name

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

IUPAC name

N-[2-(4-fluorophenyl)-2H-123-benzotriazol-5-yl]-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc2cc3nn(-c(cc4)ccc4F)nc3cc2)=O)cc(OC)c1OC

InChI

InChI=1S/C22H19FN4O4/c1-29-19-10-13(11-20(30-2)21(19)31-3)22(28)24-15-6-9-17-18(12-15)26-27(25-17)16-7-4-14(23)5-8-16/h4-12H,1-3H3,(H,24,28)

InChI Key

SCVXUZALFYWQGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02048466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.42

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

4.105

Distribution Coefficient, logD

4.105

Water Solubility, LogSw

-4.37

Polar Surface Area

70.342

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3800-1357 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3800-1357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3800-1357?
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What is the minimum amount of 3800-1357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3800-1357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3800-1357
  • 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 3800-1357 available by request