V009-3628 Screening compound: ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

V009-3628 Screening compound: ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
V009-3628 Screening compound: ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3628
ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

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

V009-3628

Molecular Formula

C21H22ClN3O2S (C21 H22 ClN3 O2 S)

Compound Name

ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

IUPAC name

ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}pentanoate

SMILES

CCCC(C(OCC)=O)Sc1nnc(-c(cccc2)c2Cl)n1-c1ccccc1

InChI

InChI=1S/C21H22ClN3O2S/c1-3-10-18(20(26)27-4-2)28-21-24-23-19(16-13-8-9-14-17(16)22)25(21)15-11-6-5-7-12-15/h5-9,11-14,18H,3-4,10H2,1-2H3/t18-/m0/s1

InChI Key

RONBHLFBAKJASU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19844181

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

415.94

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

5.633

Distribution Coefficient, logD

5.633

Water Solubility, LogSw

-5.77

Polar Surface Area

45.738

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

V009-3628 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V009-3628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3628?
Check Price and Availability of V009-3628, 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 V009-3628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3628
  • 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 V009-3628 available by request