G640-0575 Screening compound: 3-methyl-5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

G640-0575 Screening compound: 3-methyl-5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
G640-0575 Screening compound: 3-methyl-5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-0575
3-methyl-5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-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

G640-0575

Molecular Formula

C25H29N3O4S2 (C25 H29 N3 O4 S2)

Compound Name

3-methyl-5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

3-methyl-5-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CC(CSc(ccc(S(N1CCCC1)(=O)=O)c1)c1N1CC(N(CCC2)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C25H29N3O4S2/c1-18-17-33-23-11-10-20(34(31,32)26-12-4-5-13-26)15-22(23)28(25(18)30)16-24(29)27-14-6-8-19-7-2-3-9-21(19)27/h2-3,7,9-11,15,18H,4-6,8,12-14,16-17H2,1H3/t18-/m1/s1

InChI Key

KHVWMERKYWYKDG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27148194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.630

Water Solubility, LogSw

-3.95

Polar Surface Area

62.806

Acid Dissociation Constant (pKa)

21.87

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

G640-0575 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G640-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0575?
Check Price and Availability of G640-0575, 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 G640-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0575
  • 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 G640-0575 available by request