G121-0779 Screening compound: 5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide

G121-0779 Screening compound: 5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide
G121-0779 Screening compound: 5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G121-0779
5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide

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

G121-0779

Molecular Formula

C26H23N3O3S (C26 H23 N3 O3 S)

Compound Name

5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide

IUPAC name

5-{15-methoxy-2-oxa-49-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-9-yl}-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide

SMILES

Cc1c(CNC(c2ccc(N(C3)c(cccn4)c4Oc4c3cccc4OC)s2)=O)cccc1

InChI

InChI=1S/C26H23N3O3S/c1-17-7-3-4-8-18(17)15-28-25(30)22-12-13-23(33-22)29-16-19-9-5-11-21(31-2)24(19)32-26-20(29)10-6-14-27-26/h3-14H,15-16H2,1-2H3,(H,28,30)

InChI Key

CGKHKJWNJRBPLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14982323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.989

Distribution Coefficient, logD

5.989

Water Solubility, LogSw

-5.50

Polar Surface Area

52.578

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G121-0779 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G121-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G121-0779?
Check Price and Availability of G121-0779, 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 G121-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G121-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G121-0779
  • 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 G121-0779 available by request