8007-2101 Screening compound: N-[2,4-dibromo-5-(trifluoromethyl)phenyl]-2-fluorobenzamide

8007-2101 Screening compound: N-[2,4-dibromo-5-(trifluoromethyl)phenyl]-2-fluorobenzamide
8007-2101 Screening compound: N-[2,4-dibromo-5-(trifluoromethyl)phenyl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2101
N-[2,4-dibromo-5-(trifluoromethyl)phenyl]-2-fluorobenzamide

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

8007-2101

Molecular Formula

C14H7Br2F4NO (C14 H7 Br2 F4 NO)

Compound Name

N-[2,4-dibromo-5-(trifluoromethyl)phenyl]-2-fluorobenzamide

IUPAC name

N-[24-dibromo-5-(trifluoromethyl)phenyl]-2-fluorobenzamide

SMILES

O=C(c(cccc1)c1F)Nc(cc(C(F)(F)F)c(Br)c1)c1Br

InChI

InChI=1S/C14H7Br2F4NO/c15-9-6-10(16)12(5-8(9)14(18,19)20)21-13(22)7-3-1-2-4-11(7)17/h1-6H,(H,21,22)

InChI Key

BHMVZJMIOKEOOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00815977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.02

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

5.275

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-5.46

Polar Surface Area

22.632

Acid Dissociation Constant (pKa)

5.09

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8007-2101 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 8007-2101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2101?
Check Price and Availability of 8007-2101, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8007-2101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2101
  • 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 8007-2101 available by request