8012-4380 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

8012-4380 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
8012-4380 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4380
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

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

8012-4380

Molecular Formula

C21H19N5O3S2 (C21 H19 N5 O3 S2)

Compound Name

2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[5-(34-dimethoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

COc(ccc(-c(n1-c2ccccc2)nnc1SCC(Nc1nccs1)=O)c1)c1OC

InChI

InChI=1S/C21H19N5O3S2/c1-28-16-9-8-14(12-17(16)29-2)19-24-25-21(26(19)15-6-4-3-5-7-15)31-13-18(27)23-20-22-10-11-30-20/h3-12H,13H2,1-2H3,(H,22,23,27)

InChI Key

MMSBVAGXKDXXSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-3.88

Polar Surface Area

73.601

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8012-4380 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8012-4380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4380?
Check Price and Availability of 8012-4380, 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 8012-4380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4380
  • 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 8012-4380 available by request