V021-1717 Screening compound: ethyl 1-[(furan-2-yl)methyl]-2-{[(quinolin-8-yl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate

V021-1717 Screening compound: ethyl 1-[(furan-2-yl)methyl]-2-{[(quinolin-8-yl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate
V021-1717 Screening compound: ethyl 1-[(furan-2-yl)methyl]-2-{[(quinolin-8-yl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1717
ethyl 1-[(furan-2-yl)methyl]-2-{[(quinolin-8-yl)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

V021-1717

Molecular Formula

C25H21N3O3S (C25 H21 N3 O3 S)

Compound Name

ethyl 1-[(furan-2-yl)methyl]-2-{[(quinolin-8-yl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 1-[(furan-2-yl)methyl]-2-{[(quinolin-8-yl)methyl]sulfanyl}-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1ccco1)c(SCc1cccc3cccnc13)n2)=O

InChI

InChI=1S/C25H21N3O3S/c1-2-30-24(29)18-10-11-22-21(14-18)27-25(28(22)15-20-9-5-13-31-20)32-16-19-7-3-6-17-8-4-12-26-23(17)19/h3-14H,2,15-16H2,1H3

InChI Key

YZHFONFEYGOAAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464833

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.110

Distribution Coefficient, logD

6.082

Water Solubility, LogSw

-5.82

Polar Surface Area

48.513

Acid Dissociation Constant (pKa)

20.16

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V021-1717 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1717?
Check Price and Availability of V021-1717, 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 V021-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1717
  • 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 V021-1717 available by request