G851-1201 Screening compound: 2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)-N-phenylacetamide

G851-1201 Screening compound: 2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)-N-phenylacetamide
G851-1201 Screening compound: 2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-1201
2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)-N-phenylacetamide

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

G851-1201

Molecular Formula

C17H16N2O2S (C17 H16 N2 O2 S)

Compound Name

2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)-N-phenylacetamide

IUPAC name

2-(4-oxo-2345-tetrahydro-15-benzothiazepin-3-yl)-N-phenylacetamide

SMILES

O=C(CC(CSc(cccc1)c1N1)C1=O)Nc1ccccc1

InChI

InChI=1S/C17H16N2O2S/c20-16(18-13-6-2-1-3-7-13)10-12-11-22-15-9-5-4-8-14(15)19-17(12)21/h1-9,12H,10-11H2,(H,18,20)(H,19,21)/t12-/m0/s1

InChI Key

JQROSJPTTJLFDJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD09757891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-2.83

Polar Surface Area

48.325

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

G851-1201 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G851-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-1201?
Check Price and Availability of G851-1201, 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 G851-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-1201
  • 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 G851-1201 available by request