V008-9897 Screening compound: 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V008-9897 Screening compound: 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V008-9897 Screening compound: 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9897
3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

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

V008-9897

Molecular Formula

C20H19F2N3O2S (C20 H19 F2 N3 O2 S)

Compound Name

3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

IUPAC name

3-{[(25-difluorophenyl)methyl]sulfanyl}-5-(35-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

COc1cc(-c(n2CC=C)nnc2SCc(cc(cc2)F)c2F)cc(OC)c1

InChI

InChI=1S/C20H19F2N3O2S/c1-4-7-25-19(13-9-16(26-2)11-17(10-13)27-3)23-24-20(25)28-12-14-8-15(21)5-6-18(14)22/h4-6,8-11H,1,7,12H2,2-3H3

InChI Key

QEYZTJMQCGQLEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843559

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

403.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.104

Distribution Coefficient, logD

5.104

Water Solubility, LogSw

-5.04

Polar Surface Area

39.307

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V008-9897 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-9897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9897?
Check Price and Availability of V008-9897, 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 V008-9897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9897
  • 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 V008-9897 available by request