G217-0249 Screening compound: N-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

G217-0249 Screening compound: N-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
G217-0249 Screening compound: N-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G217-0249
N-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}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

G217-0249

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

N-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

IUPAC name

N-(4-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-2345-tetrahydro-1H-1-benzazepine-1-carboxamide

SMILES

O=C(c(cc1)ccc1NC(N(CCCC1)c2c1cccc2)=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C25H29N3O4/c29-23(27-15-12-25(13-16-27)31-17-18-32-25)20-8-10-21(11-9-20)26-24(30)28-14-4-3-6-19-5-1-2-7-22(19)28/h1-2,5,7-11H,3-4,6,12-18H2,(H,26,30)

InChI Key

SDAZIPGDIXXIMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.53

Polar Surface Area

55.788

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G217-0249 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G217-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G217-0249?
Check Price and Availability of G217-0249, 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 G217-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G217-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G217-0249
  • 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 G217-0249 available by request