V006-0976 Screening compound: ethyl 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

V006-0976 Screening compound: ethyl 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
V006-0976 Screening compound: ethyl 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0976
ethyl 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-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

V006-0976

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C(OCC)=O)Sc1nnc(-c(cc2)ccc2OC)n1-c1c(C)cccc1

InChI

InChI=1S/C23H27N3O3S/c1-5-9-20(22(27)29-6-2)30-23-25-24-21(17-12-14-18(28-4)15-13-17)26(23)19-11-8-7-10-16(19)3/h7-8,10-15,20H,5-6,9H2,1-4H3/t20-/m0/s1

InChI Key

BPCCAFQONDULMH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19843944

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.55

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

5.865

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-5.51

Polar Surface Area

52.981

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

V006-0976 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 V006-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0976?
Check Price and Availability of V006-0976, 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 V006-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0976
  • 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 V006-0976 available by request