V007-0530 Screening compound: ethyl 2-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate

V007-0530 Screening compound: ethyl 2-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate
V007-0530 Screening compound: ethyl 2-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-0530
ethyl 2-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-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

V007-0530

Molecular Formula

C27H27FN2O4S (C27 H27 FN2 O4 S)

Compound Name

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

IUPAC name

ethyl 2-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(CCc(cc1)ccc1OC)c(SCc(cc1)cc(F)c1OC)n2)=O

InChI

InChI=1S/C27H27FN2O4S/c1-4-34-26(31)20-8-11-24-23(16-20)29-27(35-17-19-7-12-25(33-3)22(28)15-19)30(24)14-13-18-5-9-21(32-2)10-6-18/h5-12,15-16H,4,13-14,17H2,1-3H3

InChI Key

KFJNFLDIUOQSKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964272

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.59

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

6.474

Distribution Coefficient, logD

6.473

Water Solubility, LogSw

-5.68

Polar Surface Area

46.384

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V007-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0530?
Check Price and Availability of V007-0530, 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 V007-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0530
  • 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 V007-0530 available by request