V004-3599 Screening compound: 2-(2-bromophenyl)-N-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)phenyl]acetamide

V004-3599 Screening compound: 2-(2-bromophenyl)-N-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)phenyl]acetamide
V004-3599 Screening compound: 2-(2-bromophenyl)-N-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3599
2-(2-bromophenyl)-N-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)phenyl]acetamide

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

V004-3599

Molecular Formula

C22H18BrF3N2O2 (C22 H18 BrF3 N2 O2)

Compound Name

2-(2-bromophenyl)-N-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(2-bromophenyl)-N-[3-(4567-tetrahydro-21-benzoxazol-3-yl)-5-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(Cc(cccc1)c1Br)Nc1cc(-c2c(CCCC3)c3no2)cc(C(F)(F)F)c1

InChI

InChI=1S/C22H18BrF3N2O2/c23-18-7-3-1-5-13(18)11-20(29)27-16-10-14(9-15(12-16)22(24,25)26)21-17-6-2-4-8-19(17)28-30-21/h1,3,5,7,9-10,12H,2,4,6,8,11H2,(H,27,29)

InChI Key

KLQRSZSEJFPQNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.728

Distribution Coefficient, logD

6.728

Water Solubility, LogSw

-6.07

Polar Surface Area

46.306

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V004-3599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3599?
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What is the minimum amount of V004-3599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3599
  • 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 V004-3599 available by request