3616-1199 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide

3616-1199 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
3616-1199 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1199
N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide

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

3616-1199

Molecular Formula

C18H12ClN3O2S (C18 H12 ClN3 O2 S)

Compound Name

N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide

IUPAC name

N-(213-benzothiadiazol-4-yl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide

SMILES

Cc(c(-c1ccc(C(Nc2cccc3nsnc23)=O)o1)ccc1)c1Cl

InChI

InChI=1S/C18H12ClN3O2S/c1-10-11(4-2-5-12(10)19)15-8-9-16(24-15)18(23)20-13-6-3-7-14-17(13)22-25-21-14/h2-9H,1H3,(H,20,23)

InChI Key

ZFJIGHMQVZDVKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.462

Distribution Coefficient, logD

5.461

Water Solubility, LogSw

-5.88

Polar Surface Area

51.984

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3616-1199 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3616-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1199?
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What is the minimum amount of 3616-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1199
  • 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 3616-1199 available by request