5721-0099 Screening compound: 2-{(Z)-1-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

5721-0099 Screening compound: 2-{(Z)-1-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
5721-0099 Screening compound: 2-{(Z)-1-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5721-0099
2-{(Z)-1-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

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

5721-0099

Molecular Formula

C19H11ClN4OS (C19 H11 ClN4 OS)

Compound Name

2-{(Z)-1-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-{[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

O=C(/C(/S1)=C/c2c[nH]nc2-c(cc2)ccc2Cl)n2c1nc1c2cccc1

InChI

InChI=1S/C19H11ClN4OS/c20-13-7-5-11(6-8-13)17-12(10-21-23-17)9-16-18(25)24-15-4-2-1-3-14(15)22-19(24)26-16/h1-10H,(H,21,23)

InChI Key

QDSMCNNWEJAZOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.74

Polar Surface Area

48.643

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5721-0099 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5721-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5721-0099?
Check Price and Availability of 5721-0099, 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 5721-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5721-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5721-0099
  • 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 5721-0099 available by request