G217-1041 Screening compound: ethyl 3-(2-{4-[(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate

G217-1041 Screening compound: ethyl 3-(2-{4-[(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate
G217-1041 Screening compound: ethyl 3-(2-{4-[(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G217-1041
ethyl 3-(2-{4-[(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate

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

G217-1041

Molecular Formula

C28H29N3O4 (C28 H29 N3 O4)

Compound Name

ethyl 3-(2-{4-[(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate

IUPAC name

ethyl 3-(2-{4-[(2345-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate

SMILES

CCOC(c1cccc(NC(Cc(cc2)ccc2NC(N(CCCC2)c3c2cccc3)=O)=O)c1)=O

InChI

InChI=1S/C28H29N3O4/c1-2-35-27(33)22-10-7-11-24(19-22)29-26(32)18-20-13-15-23(16-14-20)30-28(34)31-17-6-5-9-21-8-3-4-12-25(21)31/h3-4,7-8,10-16,19H,2,5-6,9,17-18H2,1H3,(H,29,32)(H,30,34)

InChI Key

TUPHQQKAGVDVBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

5.867

Water Solubility, LogSw

-5.33

Polar Surface Area

68.335

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G217-1041 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Integrin Receptors Targeted library (1715 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G217-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G217-1041?
Check Price and Availability of G217-1041, 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 G217-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G217-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G217-1041
  • 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 G217-1041 available by request