V006-3656 Screening compound: N-(5-{4H,5H,6H-cyclopenta[c][1,2]oxazol-3-yl}-2-methoxyphenyl)-4-[(trifluoromethyl)sulfanyl]benzamide

V006-3656 Screening compound: N-(5-{4H,5H,6H-cyclopenta[c][1,2]oxazol-3-yl}-2-methoxyphenyl)-4-[(trifluoromethyl)sulfanyl]benzamide
V006-3656 Screening compound: N-(5-{4H,5H,6H-cyclopenta[c][1,2]oxazol-3-yl}-2-methoxyphenyl)-4-[(trifluoromethyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3656
N-(5-{4H,5H,6H-cyclopenta[c][1,2]oxazol-3-yl}-2-methoxyphenyl)-4-[(trifluoromethyl)sulfanyl]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

V006-3656

Molecular Formula

C21H17F3N2O3S (C21 H17 F3 N2 O3 S)

Compound Name

N-(5-{4H,5H,6H-cyclopenta[c][1,2]oxazol-3-yl}-2-methoxyphenyl)-4-[(trifluoromethyl)sulfanyl]benzamide

IUPAC name

N-(5-{4H5H6H-cyclopenta[c][12]oxazol-3-yl}-2-methoxyphenyl)-4-[(trifluoromethyl)sulfanyl]benzamide

SMILES

COc(ccc(-c1c(CCC2)c2no1)c1)c1NC(c(cc1)ccc1SC(F)(F)F)=O

InChI

InChI=1S/C21H17F3N2O3S/c1-28-18-10-7-13(19-15-3-2-4-16(15)26-29-19)11-17(18)25-20(27)12-5-8-14(9-6-12)30-21(22,23)24/h5-11H,2-4H2,1H3,(H,25,27)

InChI Key

FXRZIBYRLMXTHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.891

Distribution Coefficient, logD

5.891

Water Solubility, LogSw

-5.51

Polar Surface Area

53.818

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V006-3656 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V006-3656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3656?
Check Price and Availability of V006-3656, 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 V006-3656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3656
  • 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 V006-3656 available by request