G217-0041 Screening compound: N-{4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

G217-0041 Screening compound: N-{4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
G217-0041 Screening compound: N-{4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G217-0041
N-{4-[(2,4-dimethoxyphenyl)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

G217-0041

Molecular Formula

C26H27N3O4 (C26 H27 N3 O4)

Compound Name

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

IUPAC name

N-{4-[(24-dimethoxyphenyl)carbamoyl]phenyl}-2345-tetrahydro-1H-1-benzazepine-1-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(c(cc1)ccc1NC(N(CCCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C26H27N3O4/c1-32-21-14-15-22(24(17-21)33-2)28-25(30)19-10-12-20(13-11-19)27-26(31)29-16-6-5-8-18-7-3-4-9-23(18)29/h3-4,7,9-15,17H,5-6,8,16H2,1-2H3,(H,27,31)(H,28,30)

InChI Key

GTOJCQYFGHCEGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.134

Water Solubility, LogSw

-4.94

Polar Surface Area

62.271

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G217-0041 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G217-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G217-0041?
Check Price and Availability of G217-0041, 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 G217-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G217-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G217-0041
  • 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 G217-0041 available by request