G640-0300 Screening compound: 2-{7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-[(oxolan-2-yl)methyl]acetamide

G640-0300 Screening compound: 2-{7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-[(oxolan-2-yl)methyl]acetamide
G640-0300 Screening compound: 2-{7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-0300
2-{7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-[(oxolan-2-yl)methyl]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

G640-0300

Molecular Formula

C22H31N3O5S2 (C22 H31 N3 O5 S2)

Compound Name

2-{7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc(N2CC(NCC3OCCC3)=O)c1SCCC2=O)(=O)=O

InChI

InChI=1S/C22H31N3O5S2/c1-16-6-9-24(10-7-16)32(28,29)18-4-5-20-19(13-18)25(22(27)8-12-31-20)15-21(26)23-14-17-3-2-11-30-17/h4-5,13,16-17H,2-3,6-12,14-15H2,1H3,(H,23,26)/t17-/m1/s1

InChI Key

LGIJIYZIQVEOGI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27148154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.165

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-2.84

Polar Surface Area

80.787

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

G640-0300 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 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
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G640-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0300?
Check Price and Availability of G640-0300, 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 G640-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0300
  • 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 G640-0300 available by request