V008-7446 Screening compound: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate

V008-7446 Screening compound: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate
V008-7446 Screening compound: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7446
ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]sulfanyl}-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

V008-7446

Molecular Formula

C27H24F4N2O4S (C27 H24 F4 N2 O4 S)

Compound Name

ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2356-tetrafluoro-4-methoxyphenyl)methyl]sulfanyl}-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(CCc(cc1)ccc1OC)c(SCc(c(F)c(c(OC)c1F)F)c1F)n2)=O

InChI

InChI=1S/C27H24F4N2O4S/c1-4-37-26(34)16-7-10-20-19(13-16)32-27(33(20)12-11-15-5-8-17(35-2)9-6-15)38-14-18-21(28)23(30)25(36-3)24(31)22(18)29/h5-10,13H,4,11-12,14H2,1-3H3

InChI Key

JFJRQLMYYRCBKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964231

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

548.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.590

Distribution Coefficient, logD

7.590

Water Solubility, LogSw

-5.67

Polar Surface Area

46.470

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V008-7446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7446?
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What is the minimum amount of V008-7446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7446
  • 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 V008-7446 available by request