V004-5115 Screening compound: ethyl 2-({[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

V004-5115 Screening compound: ethyl 2-({[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate
V004-5115 Screening compound: ethyl 2-({[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5115
ethyl 2-({[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

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

V004-5115

Molecular Formula

C26H19ClF3N3O3S (C26 H19 ClF3 N3 O3 S)

Compound Name

ethyl 2-({[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-({[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1ccco1)c(SCc(cc13)ccc3nc(C(F)(F)F)cc1Cl)n2)=O

InChI

InChI=1S/C26H19ClF3N3O3S/c1-2-35-24(34)16-6-8-22-21(11-16)32-25(33(22)13-17-4-3-9-36-17)37-14-15-5-7-20-18(10-15)19(27)12-23(31-20)26(28,29)30/h3-12H,2,13-14H2,1H3

InChI Key

QKSMTFNISVTMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964263

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.748

Distribution Coefficient, logD

7.737

Water Solubility, LogSw

-6.56

Polar Surface Area

47.311

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V004-5115 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-5115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5115?
Check Price and Availability of V004-5115, 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 V004-5115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5115
  • 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 V004-5115 available by request