V031-2461 Screening compound: N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,3-difluorobenzamide

V031-2461 Screening compound: N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,3-difluorobenzamide
V031-2461 Screening compound: N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,3-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2461
N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,3-difluorobenzamide

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

V031-2461

Molecular Formula

C22H15ClF2N2O2 (C22 H15 ClF2 N2 O2)

Compound Name

N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,3-difluorobenzamide

IUPAC name

N-benzyl-N-[(5-chloro-13-benzoxazol-2-yl)methyl]-23-difluorobenzamide

SMILES

O=C(c(cccc1F)c1F)N(Cc1nc(cc(cc2)Cl)c2o1)Cc1ccccc1

InChI

InChI=1S/C22H15ClF2N2O2/c23-15-9-10-19-18(11-15)26-20(29-19)13-27(12-14-5-2-1-3-6-14)22(28)16-7-4-8-17(24)21(16)25/h1-11H,12-13H2

InChI Key

FTQFBZVEPPRWDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963084

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

412.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

5.262

Water Solubility, LogSw

-5.76

Polar Surface Area

32.925

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with V031-2461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2461?
Check Price and Availability of V031-2461, 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 V031-2461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2461
  • 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 V031-2461 available by request