8510-0119 Screening compound: (2E)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide

8510-0119 Screening compound: (2E)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
8510-0119 Screening compound: (2E)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8510-0119
(2E)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide

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

8510-0119

Molecular Formula

C19H10Cl3N3O2S (C19 H10 Cl3 N3 O2 S)

Compound Name

(2E)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide

IUPAC name

(2E)-N-(5-chloro-213-benzothiadiazol-4-yl)-3-[5-(24-dichlorophenyl)furan-2-yl]prop-2-enamide

SMILES

O=C(/C=C/c1ccc(-c(ccc(Cl)c2)c2Cl)o1)Nc(c1nsnc1cc1)c1Cl

InChI

InChI=1S/C19H10Cl3N3O2S/c20-10-1-4-12(14(22)9-10)16-7-2-11(27-16)3-8-17(26)23-18-13(21)5-6-15-19(18)25-28-24-15/h1-9H,(H,23,26)

InChI Key

VBKPSBFZUYGKIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07086809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.566

Distribution Coefficient, logD

6.549

Water Solubility, LogSw

-6.61

Polar Surface Area

50.243

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8510-0119 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8510-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8510-0119?
Check Price and Availability of 8510-0119, 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 8510-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8510-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8510-0119
  • 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 8510-0119 available by request