C714-0247 Screening compound: 2-(4-METHOXYPHENYL)-5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE

C714-0247 Screening compound: 2-(4-METHOXYPHENYL)-5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
C714-0247 Screening compound: 2-(4-METHOXYPHENYL)-5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0247
2-(4-METHOXYPHENYL)-5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-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

C714-0247

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

2-(4-METHOXYPHENYL)-5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE

IUPAC name

n/a

SMILES

COc1ccc(C(C2)Sc(cccc3)c3N(CC(N3CCCC3)=O)C2=O)cc1

InChI

InChI=1S/C22H24N2O3S/c1-27-17-10-8-16(9-11-17)20-14-21(25)24(15-22(26)23-12-4-5-13-23)18-6-2-3-7-19(18)28-20/h2-3,6-11,20H,4-5,12-15H2,1H3/t20-/m0/s1

InChI Key

FOOQLZKRMSWLIK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05893541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.510

Water Solubility, LogSw

-3.75

Polar Surface Area

39.981

Acid Dissociation Constant (pKa)

22.20

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C714-0247 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0247?
Check Price and Availability of C714-0247, 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 C714-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0247
  • 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 C714-0247 available by request