4582-0281 Screening compound: 7-(4-methylphenyl)-5,6,7,13-tetrahydronaphtho[2,1-c][1,5]benzothiazepine

4582-0281 Screening compound: 7-(4-methylphenyl)-5,6,7,13-tetrahydronaphtho[2,1-c][1,5]benzothiazepine
4582-0281 Screening compound: 7-(4-methylphenyl)-5,6,7,13-tetrahydronaphtho[2,1-c][1,5]benzothiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0281
7-(4-methylphenyl)-5,6,7,13-tetrahydronaphtho[2,1-c][1,5]benzothiazepine

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

4582-0281

Molecular Formula

C24H21NS (C24 H21 NS)

Compound Name

7-(4-methylphenyl)-5,6,7,13-tetrahydronaphtho[2,1-c][1,5]benzothiazepine

IUPAC name

10-(4-methylphenyl)-9-thia-2-azatetracyclo[9.8.0.0^{38}.0^{1419}]nonadeca-1(11)3(8)46141618-heptaene

SMILES

Cc1ccc(C2Sc(cccc3)c3NC3=C2CCc2c3cccc2)cc1

InChI

InChI=1S/C24H21NS/c1-16-10-12-18(13-11-16)24-20-15-14-17-6-2-3-7-19(17)23(20)25-21-8-4-5-9-22(21)26-24/h2-13,24-25H,14-15H2,1H3/t24-/m1/s1

InChI Key

QJCJJBJXCCQGTC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03164998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.5

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.751

Distribution Coefficient, logD

6.751

Water Solubility, LogSw

-5.99

Polar Surface Area

11.240

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

4582-0281 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

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

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4582-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0281?
Check Price and Availability of 4582-0281, 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 4582-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0281
  • 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 4582-0281 available by request