F484-0586 Screening compound: 4-bromo-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}benzamide

F484-0586 Screening compound: 4-bromo-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}benzamide
F484-0586 Screening compound: 4-bromo-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F484-0586
4-bromo-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}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

F484-0586

Molecular Formula

C17H13BrF3N3O (C17 H13 BrF3 N3 O)

Compound Name

4-bromo-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}benzamide

IUPAC name

4-bromo-N-{2-[2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]ethyl}benzamide

SMILES

O=C(c(cc1)ccc1Br)NCCn1c(cccc2)c2nc1C(F)(F)F

InChI

InChI=1S/C17H13BrF3N3O/c18-12-7-5-11(6-8-12)15(25)22-9-10-24-14-4-2-1-3-13(14)23-16(24)17(19,20)21/h1-8H,9-10H2,(H,22,25)

InChI Key

XXODSMGAKKYDNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27133553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

4.460

Water Solubility, LogSw

-4.43

Polar Surface Area

34.672

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

F484-0586 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with F484-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F484-0586?
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What is the minimum amount of F484-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F484-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F484-0586
  • 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 F484-0586 available by request