5750-3508 Screening compound: 4-(7-oxo-7,12-dihydro-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 4-chlorobenzoate

5750-3508 Screening compound: 4-(7-oxo-7,12-dihydro-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 4-chlorobenzoate
5750-3508 Screening compound: 4-(7-oxo-7,12-dihydro-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-3508
4-(7-oxo-7,12-dihydro-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 4-chlorobenzoate

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

5750-3508

Molecular Formula

C29H18ClNO3S (C29 H18 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Cl)Oc1ccc(C2Sc(cccc3)c3NC(c3c4cccc3)=C2C4=O)cc1

InChI

InChI=1S/C29H18ClNO3S/c30-19-13-9-18(10-14-19)29(33)34-20-15-11-17(12-16-20)28-25-26(21-5-1-2-6-22(21)27(25)32)31-23-7-3-4-8-24(23)35-28/h1-16,28,31H/t28-/m1/s1

InChI Key

SOGAYERJRWWVMX-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD03164984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.99

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

6.947

Distribution Coefficient, logD

6.946

Water Solubility, LogSw

-6.60

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

3.40

5750-3508 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5750-3508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-3508?
Check Price and Availability of 5750-3508, 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 5750-3508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-3508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-3508
  • 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 5750-3508 available by request