V006-8825 Screening compound: ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

V006-8825 Screening compound: ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
V006-8825 Screening compound: ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8825
ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-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

V006-8825

Molecular Formula

C22H24ClN3O3S (C22 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCCC(C(OCC)=O)Sc1nnc(-c(cccc2)c2Cl)n1-c(cccc1)c1OC

InChI

InChI=1S/C22H24ClN3O3S/c1-4-10-19(21(27)29-5-2)30-22-25-24-20(15-11-6-7-12-16(15)23)26(22)17-13-8-9-14-18(17)28-3/h6-9,11-14,19H,4-5,10H2,1-3H3/t19-/m0/s1

InChI Key

SHTIAQCFJWETBP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19844294

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-5.74

Polar Surface Area

53.067

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with V006-8825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8825?
Check Price and Availability of V006-8825, 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 V006-8825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8825
  • 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 V006-8825 available by request