8014-1143 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-6-nitro-2-oxo-2H-chromene-3-carboxamide

8014-1143 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-6-nitro-2-oxo-2H-chromene-3-carboxamide
8014-1143 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-6-nitro-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1143
N-[2-(adamantan-1-yloxy)ethyl]-6-nitro-2-oxo-2H-chromene-3-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

8014-1143

Molecular Formula

C22H24N2O6 (C22 H24 N2 O6)

Compound Name

N-[2-(adamantan-1-yloxy)ethyl]-6-nitro-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-[2-(adamantan-1-yloxy)ethyl]-6-nitro-2-oxo-2H-chromene-3-carboxamide

SMILES

[O-][N+](c(cc1)cc(C=C2C(NCCOC3(CC(C4)C5)CC5CC4C3)=O)c1OC2=O)=O

InChI

InChI=1S/C22H24N2O6/c25-20(18-9-16-8-17(24(27)28)1-2-19(16)30-21(18)26)23-3-4-29-22-10-13-5-14(11-22)7-15(6-13)12-22/h1-2,8-9,13-15H,3-7,10-12H2,(H,23,25)

InChI Key

LNGLQEDNEOGFBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.30

Polar Surface Area

85.057

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

8014-1143 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8014-1143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1143?
Check Price and Availability of 8014-1143, 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 8014-1143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1143
  • 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 8014-1143 available by request