G502-0176 Screening compound: N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]adamantane-1-carboxamide

G502-0176 Screening compound: N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]adamantane-1-carboxamide
G502-0176 Screening compound: N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G502-0176
N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]adamantane-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

G502-0176

Molecular Formula

C25H28N2O3 (C25 H28 N2 O3)

Compound Name

N-[1-(furan-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]adamantane-1-carboxamide

IUPAC name

N-[1-(furan-2-carbonyl)-1234-tetrahydroquinolin-6-yl]adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)Nc(cc1)cc(CCC2)c1N2C(c1ccco1)=O

InChI

InChI=1S/C25H28N2O3/c28-23(22-4-2-8-30-22)27-7-1-3-19-12-20(5-6-21(19)27)26-24(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h2,4-6,8,12,16-18H,1,3,7,9-11,13-15H2,(H,26,29)

InChI Key

MANWIKYTEPHEKS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-5.39

Polar Surface Area

47.254

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

G502-0176 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G502-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G502-0176?
Check Price and Availability of G502-0176, 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 G502-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G502-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G502-0176
  • 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 G502-0176 available by request