G375-2877 Screening compound: ethyl 5-{[5-(4-methoxyphenyl)-2-oxo-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl]methyl}-3-isoxazolecarboxylate

G375-2877 Screening compound: ethyl 5-{[5-(4-methoxyphenyl)-2-oxo-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl]methyl}-3-isoxazolecarboxylate
G375-2877 Screening compound: ethyl 5-{[5-(4-methoxyphenyl)-2-oxo-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl]methyl}-3-isoxazolecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G375-2877
ethyl 5-{[5-(4-methoxyphenyl)-2-oxo-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl]methyl}-3-isoxazolecarboxylate

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

G375-2877

Molecular Formula

C25H25N3O5S (C25 H25 N3 O5 S)

Compound Name

ethyl 5-{[5-(4-methoxyphenyl)-2-oxo-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl]methyl}-3-isoxazolecarboxylate

IUPAC name

ethyl 5-{[14-(4-methoxyphenyl)-11-oxo-8-thia-1013-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)13-trien-10-yl]methyl}-12-oxazole-3-carboxylate

SMILES

CCOC(c1noc(CN(c(sc2c3CCCC2)c3C(c(cc2)ccc2OC)=NC2)C2=O)c1)=O

InChI

InChI=1S/C25H25N3O5S/c1-3-32-25(30)19-12-17(33-27-19)14-28-21(29)13-26-23(15-8-10-16(31-2)11-9-15)22-18-6-4-5-7-20(18)34-24(22)28/h8-12H,3-7,13-14H2,1-2H3

InChI Key

NGPXGWZYUYXYSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15006588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.51

Polar Surface Area

73.588

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G375-2877 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 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 G375-2877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G375-2877?
Check Price and Availability of G375-2877, 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 G375-2877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G375-2877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G375-2877
  • 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 G375-2877 available by request