V018-1887 Screening compound: ethyl 2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V018-1887 Screening compound: ethyl 2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V018-1887 Screening compound: ethyl 2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1887
ethyl 2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

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

V018-1887

Molecular Formula

C15H19N3O2S (C15 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C)Sc1nnc(C)n1-c1cc(C)ccc1)=O

InChI

InChI=1S/C15H19N3O2S/c1-5-20-14(19)11(3)21-15-17-16-12(4)18(15)13-8-6-7-10(2)9-13/h6-9,11H,5H2,1-4H3/t11-/m0/s1

InChI Key

YYPHSYWTKQJMEZ-NSHDSACASA-N

MDL Number (MFCD)

MFCD19844127

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

305.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.882

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.11

Polar Surface Area

46.786

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V018-1887 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Soluble Diversity Library (15920 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V018-1887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1887?
Check Price and Availability of V018-1887, 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 V018-1887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1887
  • 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 V018-1887 available by request