G115-0141 Screening compound: 7-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

G115-0141 Screening compound: 7-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
G115-0141 Screening compound: 7-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G115-0141
7-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)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

G115-0141

Molecular Formula

C20H22N2O4S2 (C20 H22 N2 O4 S2)

Compound Name

7-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

7-[(2-ethyl-6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)sulfonyl]-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CCC(C1)Oc(ccc(C)c2)c2N1S(c(cc1)cc(N2)c1SCCC2=O)(=O)=O

InChI

InChI=1S/C20H22N2O4S2/c1-3-14-12-22(17-10-13(2)4-6-18(17)26-14)28(24,25)15-5-7-19-16(11-15)21-20(23)8-9-27-19/h4-7,10-11,14H,3,8-9,12H2,1-2H3,(H,21,23)/t14-/m1/s1

InChI Key

BREAOBLLXZEIES-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14980775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.433

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-3.91

Polar Surface Area

63.786

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

G115-0141 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein Arginine Methyltransferases Library (27925 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
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G115-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G115-0141?
Check Price and Availability of G115-0141, 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 G115-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G115-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G115-0141
  • 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 G115-0141 available by request