3334-5248 Screening compound: 4-chloro-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]benzamide

3334-5248 Screening compound: 4-chloro-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]benzamide
3334-5248 Screening compound: 4-chloro-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-5248
4-chloro-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]benzamide

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

3334-5248

Molecular Formula

C15H9ClF3NO3 (C15 H9 ClF3 NO3)

Compound Name

4-chloro-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]benzamide

IUPAC name

4-chloro-N-[2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]benzamide

SMILES

O=C(c(cc1)ccc1Cl)NC1(C(F)(F)F)Oc(cccc2)c2O1

InChI

InChI=1S/C15H9ClF3NO3/c16-10-7-5-9(6-8-10)13(21)20-15(14(17,18)19)22-11-3-1-2-4-12(11)23-15/h1-8H,(H,20,21)

InChI Key

MDIQPZLKKBDQSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02250241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.002

Distribution Coefficient, logD

0.368

Water Solubility, LogSw

-4.70

Polar Surface Area

38.421

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-10.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3334-5248 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3334-5248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-5248?
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What is the minimum amount of 3334-5248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-5248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-5248
  • 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 3334-5248 available by request