V010-9898 Screening compound: ethyl 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

V010-9898 Screening compound: ethyl 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
V010-9898 Screening compound: ethyl 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9898
ethyl 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-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

V010-9898

Molecular Formula

C19H25N3O2S (C19 H25 N3 O2 S)

Compound Name

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

IUPAC name

ethyl 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}pentanoate

SMILES

CCCC(C(OCC)=O)Sc1nnc(-c2cc(C)ccc2)n1CC=C

InChI

InChI=1S/C19H25N3O2S/c1-5-9-16(18(23)24-7-3)25-19-21-20-17(22(19)12-6-2)15-11-8-10-14(4)13-15/h6,8,10-11,13,16H,2,5,7,9,12H2,1,3-4H3/t16-/m0/s1

InChI Key

KHQUCMHMEXVJIQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19843400

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

359.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.146

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.02

Polar Surface Area

45.244

Acid Dissociation Constant (pKa)

17.55

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

V010-9898 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V010-9898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9898?
Check Price and Availability of V010-9898, 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 V010-9898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9898
  • 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 V010-9898 available by request