7541-0107 Screening compound: 4-chloro-N~1~-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide

7541-0107 Screening compound: 4-chloro-N~1~-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide
7541-0107 Screening compound: 4-chloro-N~1~-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7541-0107
4-chloro-N~1~-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide

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

7541-0107

Molecular Formula

C19H10ClN3O2S (C19 H10 ClN3 O2 S)

Compound Name

4-chloro-N~1~-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide

IUPAC name

4-chloro-N-{10-cyano-13-oxo-8-thia-1-azatricyclo[7.4.0.0^{27}]trideca-246911-pentaen-12-yl}benzamide

SMILES

N#CC(C=C1NC(c(cc2)ccc2Cl)=O)=C2Sc(cccc3)c3N2C1=O

InChI

InChI=1S/C19H10ClN3O2S/c20-13-7-5-11(6-8-13)17(24)22-14-9-12(10-21)19-23(18(14)25)15-3-1-2-4-16(15)26-19/h1-9H,(H,22,24)

InChI Key

ZLHKJNZBHYRDLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05846883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

1.627

Water Solubility, LogSw

-3.94

Polar Surface Area

56.876

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 7541-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7541-0107?
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What is the minimum amount of 7541-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7541-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7541-0107
  • 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 7541-0107 available by request