V016-4253 Screening compound: 2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzoxazole

V016-4253 Screening compound: 2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzoxazole
V016-4253 Screening compound: 2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4253
2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzoxazole

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

V016-4253

Molecular Formula

C18H11F3N2OS2 (C18 H11 F3 N2 OS2)

Compound Name

2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzoxazole

IUPAC name

2-[({2-[4-(trifluoromethyl)phenyl]-13-thiazol-4-yl}methyl)sulfanyl]-13-benzoxazole

SMILES

FC(c(cc1)ccc1-c1nc(CSc2nc(cccc3)c3o2)cs1)(F)F

InChI

InChI=1S/C18H11F3N2OS2/c19-18(20,21)12-7-5-11(6-8-12)16-22-13(9-25-16)10-26-17-23-14-3-1-2-4-15(14)24-17/h1-9H,10H2

InChI Key

XSNMJPFDWXNHDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.408

Distribution Coefficient, logD

6.408

Water Solubility, LogSw

-6.39

Polar Surface Area

26.859

Acid Dissociation Constant (pKa)

28.09

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with V016-4253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4253?
Check Price and Availability of V016-4253, 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 V016-4253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4253
  • 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 V016-4253 available by request