5750-3535 Screening compound: 3-(7-oxo-7,12-dihydro-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 4-methylbenzoate

5750-3535 Screening compound: 3-(7-oxo-7,12-dihydro-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 4-methylbenzoate
5750-3535 Screening compound: 3-(7-oxo-7,12-dihydro-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-3535
3-(7-oxo-7,12-dihydro-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 4-methylbenzoate

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

5750-3535

Molecular Formula

C30H21NO3S (C30 H21 NO3 S)

Compound Name

3-(7-oxo-7,12-dihydro-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 4-methylbenzoate

IUPAC name

3-{12-oxo-9-thia-2-azatetracyclo[9.7.0.0^{38}.0^{1318}]octadeca-1(11)3(8)46131517-heptaen-10-yl}phenyl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(Oc1cccc(C2Sc(cccc3)c3NC(c3c4cccc3)=C2C4=O)c1)=O

InChI

InChI=1S/C30H21NO3S/c1-18-13-15-19(16-14-18)30(33)34-21-8-6-7-20(17-21)29-26-27(22-9-2-3-10-23(22)28(26)32)31-24-11-4-5-12-25(24)35-29/h2-17,29,31H,1H3/t29-/m1/s1

InChI Key

XCVRPILBNMEFPS-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD03164993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.716

Distribution Coefficient, logD

6.716

Water Solubility, LogSw

-5.72

Polar Surface Area

45.130

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

5750-3535 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5750-3535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-3535?
Check Price and Availability of 5750-3535, 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 5750-3535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-3535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-3535
  • 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 5750-3535 available by request