V008-7606 Screening compound: ethyl 2-({[2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

V008-7606 Screening compound: ethyl 2-({[2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate
V008-7606 Screening compound: ethyl 2-({[2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7606
ethyl 2-({[2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-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

V008-7606

Molecular Formula

C24H19F4N3O2S (C24 H19 F4 N3 O2 S)

Compound Name

ethyl 2-({[2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-({[2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-2-yl)methyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1ncccc1)c(SCc(cc(C(F)(F)F)cc1)c1F)n2)=O

InChI

InChI=1S/C24H19F4N3O2S/c1-2-33-22(32)15-6-9-21-20(12-15)30-23(31(21)13-18-5-3-4-10-29-18)34-14-16-11-17(24(26,27)28)7-8-19(16)25/h3-12H,2,13-14H2,1H3

InChI Key

KVANTEHKQMEJKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464795

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.466

Distribution Coefficient, logD

6.297

Water Solubility, LogSw

-5.78

Polar Surface Area

40.774

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

V008-7606 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V008-7606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7606?
Check Price and Availability of V008-7606, 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 V008-7606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7606
  • 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 V008-7606 available by request