G115-0631 Screening compound: ethyl 5-{4-methoxy-3-[(3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)sulfonyl]phenyl}-1,2-oxazole-3-carboxylate

G115-0631 Screening compound: ethyl 5-{4-methoxy-3-[(3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)sulfonyl]phenyl}-1,2-oxazole-3-carboxylate
G115-0631 Screening compound: ethyl 5-{4-methoxy-3-[(3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)sulfonyl]phenyl}-1,2-oxazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G115-0631
ethyl 5-{4-methoxy-3-[(3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)sulfonyl]phenyl}-1,2-oxazole-3-carboxylate

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

G115-0631

Molecular Formula

C23H24N2O6S2 (C23 H24 N2 O6 S2)

Compound Name

ethyl 5-{4-methoxy-3-[(3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)sulfonyl]phenyl}-1,2-oxazole-3-carboxylate

IUPAC name

ethyl 5-{4-methoxy-3-[(3-methyl-2345-tetrahydro-15-benzothiazepin-5-yl)sulfonyl]phenyl}-12-oxazole-3-carboxylate

SMILES

CCOC(c1noc(-c(cc2)cc(S(N3c(cccc4)c4SCC(C)C3)(=O)=O)c2OC)c1)=O

InChI

InChI=1S/C23H24N2O6S2/c1-4-30-23(26)17-12-20(31-24-17)16-9-10-19(29-3)22(11-16)33(27,28)25-13-15(2)14-32-21-8-6-5-7-18(21)25/h5-12,15H,4,13-14H2,1-3H3/t15-/m0/s1

InChI Key

DJHIXTLJKRERSM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14980918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.37

Polar Surface Area

81.575

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-7.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

G115-0631 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G115-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G115-0631?
Check Price and Availability of G115-0631, 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 G115-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G115-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G115-0631
  • 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 G115-0631 available by request