G269-0075 Screening compound: 1-{7-[(2-methylpiperidin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}ethan-1-one

G269-0075 Screening compound: 1-{7-[(2-methylpiperidin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}ethan-1-one
G269-0075 Screening compound: 1-{7-[(2-methylpiperidin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G269-0075
1-{7-[(2-methylpiperidin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}ethan-1-one

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

G269-0075

Molecular Formula

C17H24N2O3S2 (C17 H24 N2 O3 S2)

Compound Name

1-{7-[(2-methylpiperidin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}ethan-1-one

IUPAC name

1-{7-[(2-methylpiperidin-1-yl)sulfonyl]-2345-tetrahydro-15-benzothiazepin-5-yl}ethan-1-one

SMILES

CC(CCCC1)N1S(c(cc1)cc2c1SCCCN2C(C)=O)(=O)=O

InChI

InChI=1S/C17H24N2O3S2/c1-13-6-3-4-10-19(13)24(21,22)15-7-8-17-16(12-15)18(14(2)20)9-5-11-23-17/h7-8,12-13H,3-6,9-11H2,1-2H3/t13-/m0/s1

InChI Key

HRMJQKSJNUCONK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14992562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.951

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.44

Polar Surface Area

48.395

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

G269-0075 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G269-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G269-0075?
Check Price and Availability of G269-0075, 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 G269-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G269-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G269-0075
  • 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 G269-0075 available by request