V030-9540 Screening compound: ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

V030-9540 Screening compound: ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
V030-9540 Screening compound: ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9540
ethyl 2-{[4-cyclohexyl-5-(4-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

V030-9540

Molecular Formula

C22H31N3O3S (C22 H31 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C(OCC)=O)Sc1nnc(-c(cc2)ccc2OC)n1C1CCCCC1

InChI

InChI=1S/C22H31N3O3S/c1-4-9-19(21(26)28-5-2)29-22-24-23-20(16-12-14-18(27-3)15-13-16)25(22)17-10-7-6-8-11-17/h12-15,17,19H,4-11H2,1-3H3/t19-/m0/s1

InChI Key

CJEYZMKGPGJQKY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19843894

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

417.57

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

5.804

Distribution Coefficient, logD

5.804

Water Solubility, LogSw

-5.36

Polar Surface Area

53.115

Acid Dissociation Constant (pKa)

17.55

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

References: we are preparing a list of scientific research reports with V030-9540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9540?
Check Price and Availability of V030-9540, 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 V030-9540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9540
  • 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 V030-9540 available by request