1568-0051 Screening compound: 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide

1568-0051 Screening compound: 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
1568-0051 Screening compound: 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1568-0051
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]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

1568-0051

Molecular Formula

C14H8BrClF3NO (C14 H8 BrClF3 NO)

Compound Name

4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide

IUPAC name

4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide

SMILES

O=C(c(cc1)ccc1Br)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C14H8BrClF3NO/c15-10-4-1-8(2-5-10)13(21)20-12-7-9(14(17,18)19)3-6-11(12)16/h1-7H,(H,20,21)

InChI Key

PTRWSVWPFJWCFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00417396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-6.15

Polar Surface Area

22.632

Acid Dissociation Constant (pKa)

5.98

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1568-0051 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 1568-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1568-0051?
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What is the minimum amount of 1568-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1568-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1568-0051
  • 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 1568-0051 available by request