0141-0295 Screening compound: N-[2,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide

0141-0295 Screening compound: N-[2,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide
0141-0295 Screening compound: N-[2,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0141-0295
N-[2,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide

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

0141-0295

Molecular Formula

C15H7Br2F6NO2 (C15 H7 Br2 F6 NO2)

Compound Name

N-[2,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide

IUPAC name

N-[25-bis(trifluoromethyl)phenyl]-35-dibromo-2-hydroxybenzamide

SMILES

Oc(c(C(Nc1c(C(F)(F)F)ccc(C(F)(F)F)c1)=O)cc(Br)c1)c1Br

InChI

InChI=1S/C15H7Br2F6NO2/c16-7-4-8(12(25)10(17)5-7)13(26)24-11-3-6(14(18,19)20)1-2-9(11)15(21,22)23/h1-5,25H,(H,24,26)

InChI Key

XUEXKLQUXRIRAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.02

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.289

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-6.02

Polar Surface Area

38.111

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0141-0295 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0141-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0141-0295?
Check Price and Availability of 0141-0295, 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 0141-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0141-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0141-0295
  • 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 0141-0295 available by request