G121-0666 Screening compound: N~2~-cycloheptyl-5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-2-thiophenecarboxamide

G121-0666 Screening compound: N~2~-cycloheptyl-5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-2-thiophenecarboxamide
G121-0666 Screening compound: N~2~-cycloheptyl-5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G121-0666
N~2~-cycloheptyl-5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-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

G121-0666

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C2)c1Oc(nccc1)c1N2c1ccc(C(NC2CCCCCC2)=O)s1

InChI

InChI=1S/C25H27N3O3S/c1-30-20-12-6-8-17-16-28(19-11-7-15-26-25(19)31-23(17)20)22-14-13-21(32-22)24(29)27-18-9-4-2-3-5-10-18/h6-8,11-15,18H,2-5,9-10,16H2,1H3,(H,27,29)

InChI Key

LVQUBMUYNZFQEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14982299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.041

Distribution Coefficient, logD

6.041

Water Solubility, LogSw

-5.30

Polar Surface Area

52.634

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G121-0666 in Drug Discovery

Included in Screening Libraries

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

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 G121-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G121-0666?
Check Price and Availability of G121-0666, 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 G121-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G121-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G121-0666
  • 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 G121-0666 available by request