G121-0812 Screening compound: 5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-[(5-methyl-2-furyl)methyl]-2-thiophenecarboxamide

G121-0812 Screening compound: 5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-[(5-methyl-2-furyl)methyl]-2-thiophenecarboxamide
G121-0812 Screening compound: 5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-[(5-methyl-2-furyl)methyl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G121-0812
5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-[(5-methyl-2-furyl)methyl]-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

G121-0812

Molecular Formula

C24H21N3O4S (C24 H21 N3 O4 S)

Compound Name

5-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~2~-[(5-methyl-2-furyl)methyl]-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-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide

SMILES

Cc1ccc(CNC(c2ccc(N(C3)c(cccn4)c4Oc4c3cccc4OC)s2)=O)o1

InChI

InChI=1S/C24H21N3O4S/c1-15-8-9-17(30-15)13-26-23(28)20-10-11-21(32-20)27-14-16-5-3-7-19(29-2)22(16)31-24-18(27)6-4-12-25-24/h3-12H,13-14H2,1-2H3,(H,26,28)

InChI Key

ZWDKUYPNSTZBDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14982326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.159

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-4.96

Polar Surface Area

59.840

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G121-0812 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G121-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G121-0812?
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What is the minimum amount of G121-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G121-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G121-0812
  • 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 G121-0812 available by request