G640-0616 Screening compound: N-[(3-methoxyphenyl)methyl]-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

G640-0616 Screening compound: N-[(3-methoxyphenyl)methyl]-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
G640-0616 Screening compound: N-[(3-methoxyphenyl)methyl]-2-[3-methyl-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 G640-0616
N-[(3-methoxyphenyl)methyl]-2-[3-methyl-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

G640-0616

Molecular Formula

C24H29N3O5S2 (C24 H29 N3 O5 S2)

Compound Name

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

IUPAC name

N-[(3-methoxyphenyl)methyl]-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

CC(CSc(ccc(S(N1CCCC1)(=O)=O)c1)c1N1CC(NCc2cc(OC)ccc2)=O)C1=O

InChI

InChI=1S/C24H29N3O5S2/c1-17-16-33-22-9-8-20(34(30,31)26-10-3-4-11-26)13-21(22)27(24(17)29)15-23(28)25-14-18-6-5-7-19(12-18)32-2/h5-9,12-13,17H,3-4,10-11,14-16H2,1-2H3,(H,25,28)/t17-/m1/s1

InChI Key

COUSLOUGMCMESG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27148212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.64

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

3.253

Distribution Coefficient, logD

3.253

Water Solubility, LogSw

-3.78

Polar Surface Area

79.764

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

G640-0616 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 G640-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0616?
Check Price and Availability of G640-0616, 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 G640-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0616
  • 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 G640-0616 available by request