G640-0169 Screening compound: N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

G640-0169 Screening compound: N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
G640-0169 Screening compound: N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-0169
N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

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

G640-0169

Molecular Formula

C23H27N3O5S2 (C23 H27 N3 O5 S2)

Compound Name

N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

COc1ccc(CNC(CN(c(cc(cc2)S(N3CCCC3)(=O)=O)c2SCC2)C2=O)=O)cc1

InChI

InChI=1S/C23H27N3O5S2/c1-31-18-6-4-17(5-7-18)15-24-22(27)16-26-20-14-19(33(29,30)25-11-2-3-12-25)8-9-21(20)32-13-10-23(26)28/h4-9,14H,2-3,10-13,15-16H2,1H3,(H,24,27)

InChI Key

JXZJFJSXFIYXDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.887

Water Solubility, LogSw

-3.70

Polar Surface Area

80.042

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G640-0169 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G640-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0169?
Check Price and Availability of G640-0169, 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 G640-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0169
  • 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 G640-0169 available by request