G217-0186 Screening compound: N-[4-({3-[benzyl(propan-2-yl)amino]propyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

G217-0186 Screening compound: N-[4-({3-[benzyl(propan-2-yl)amino]propyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
G217-0186 Screening compound: N-[4-({3-[benzyl(propan-2-yl)amino]propyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G217-0186
N-[4-({3-[benzyl(propan-2-yl)amino]propyl}carbamoyl)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

G217-0186

Molecular Formula

C31H38N4O2 (C31 H38 N4 O2)

Compound Name

N-[4-({3-[benzyl(propan-2-yl)amino]propyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

IUPAC name

N-[4-({3-[benzyl(propan-2-yl)amino]propyl}carbamoyl)phenyl]-2345-tetrahydro-1H-1-benzazepine-1-carboxamide

SMILES

CC(C)N(CCCNC(c(cc1)ccc1NC(N(CCCC1)c2c1cccc2)=O)=O)Cc1ccccc1

InChI

InChI=1S/C31H38N4O2/c1-24(2)34(23-25-11-4-3-5-12-25)21-10-20-32-30(36)27-16-18-28(19-17-27)33-31(37)35-22-9-8-14-26-13-6-7-15-29(26)35/h3-7,11-13,15-19,24H,8-10,14,20-23H2,1-2H3,(H,32,36)(H,33,37)

InChI Key

MWFDKEQELQUTFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.630

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-5.31

Polar Surface Area

52.555

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

G217-0186 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G217-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G217-0186?
Check Price and Availability of G217-0186, 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 G217-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G217-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G217-0186
  • 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 G217-0186 available by request