V012-0417 Screening compound: methyl 5-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

V012-0417 Screening compound: methyl 5-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
V012-0417 Screening compound: methyl 5-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0417
methyl 5-({[5-(3,5-dimethoxyphenyl)-4-phenyl-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

V012-0417

Molecular Formula

C23H21N3O5S (C23 H21 N3 O5 S)

Compound Name

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

IUPAC name

methyl 5-({[5-(35-dimethoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

SMILES

COC(c1ccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2-c2ccccc2)o1)=O

InChI

InChI=1S/C23H21N3O5S/c1-28-18-11-15(12-19(13-18)29-2)21-24-25-23(26(21)16-7-5-4-6-8-16)32-14-17-9-10-20(31-17)22(27)30-3/h4-13H,14H2,1-3H3

InChI Key

WOPKZNRDXIQZHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843536

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.47

Polar Surface Area

68.815

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V012-0417 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V012-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0417?
Check Price and Availability of V012-0417, 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 V012-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0417
  • 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 V012-0417 available by request