G217-1092 Screening compound: N-(4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]methyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

G217-1092 Screening compound: N-(4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]methyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
G217-1092 Screening compound: N-(4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]methyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G217-1092
N-(4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]methyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

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

G217-1092

Molecular Formula

C29H31N3O2 (C29 H31 N3 O2)

Compound Name

N-(4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]methyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

IUPAC name

N-(4-{[(1234-tetrahydronaphthalen-1-yl)carbamoyl]methyl}phenyl)-2345-tetrahydro-1H-1-benzazepine-1-carboxamide

SMILES

O=C(Cc(cc1)ccc1NC(N(CCCC1)c2c1cccc2)=O)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C29H31N3O2/c33-28(31-26-13-7-11-22-8-1-3-12-25(22)26)20-21-15-17-24(18-16-21)30-29(34)32-19-6-5-10-23-9-2-4-14-27(23)32/h1-4,8-9,12,14-18,26H,5-7,10-11,13,19-20H2,(H,30,34)(H,31,33)/t26-/m0/s1

InChI Key

RNECXZQBXIIVDG-SANMLTNESA-N

MDL Number (MFCD)

MFCD14987484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.773

Distribution Coefficient, logD

5.773

Water Solubility, LogSw

-5.77

Polar Surface Area

48.747

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

G217-1092 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G217-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G217-1092?
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What is the minimum amount of G217-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G217-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G217-1092
  • 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 G217-1092 available by request