V013-8578 Screening compound: methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

V013-8578 Screening compound: methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
V013-8578 Screening compound: methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8578
methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

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

V013-8578

Molecular Formula

C19H19N3O4S (C19 H19 N3 O4 S)

Compound Name

methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

IUPAC name

methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

SMILES

COC(c1ccc(CSc2nnc(-c(cc3)ccc3OC)n2CC=C)o1)=O

InChI

InChI=1S/C19H19N3O4S/c1-4-11-22-17(13-5-7-14(24-2)8-6-13)20-21-19(22)27-12-15-9-10-16(26-15)18(23)25-3/h4-10H,1,11-12H2,2-3H3

InChI Key

KQZGJIQPBYGBIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07248052

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.083

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.18

Polar Surface Area

60.778

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

V013-8578 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V013-8578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8578?
Check Price and Availability of V013-8578, 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 V013-8578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8578
  • 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 V013-8578 available by request