V008-5038 Screening compound: ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxylate

V008-5038 Screening compound: ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxylate
V008-5038 Screening compound: ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5038
ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]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

V008-5038

Molecular Formula

C27H23F3N2O4S (C27 H23 F3 N2 O4 S)

Compound Name

ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-({[3-(methoxycarbonyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1ccc(C(F)(F)F)cc1)c(SCc1cc(C(OC)=O)ccc1)n2)=O

InChI

InChI=1S/C27H23F3N2O4S/c1-3-36-25(34)20-9-12-23-22(14-20)31-26(37-16-18-5-4-6-19(13-18)24(33)35-2)32(23)15-17-7-10-21(11-8-17)27(28,29)30/h4-14H,3,15-16H2,1-2H3

InChI Key

MHMKVSCKUKCNCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964036

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.240

Distribution Coefficient, logD

7.233

Water Solubility, LogSw

-5.74

Polar Surface Area

52.405

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V008-5038 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 V008-5038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5038?
Check Price and Availability of V008-5038, 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 V008-5038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5038
  • 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 V008-5038 available by request