S968-0639 Screening compound: N-[6-(2-ethoxyacetyl)-6-azaspiro[2.5]octan-1-yl]benzamide

S968-0639 Screening compound: N-[6-(2-ethoxyacetyl)-6-azaspiro[2.5]octan-1-yl]benzamide
S968-0639 Screening compound: N-[6-(2-ethoxyacetyl)-6-azaspiro[2.5]octan-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0639
N-[6-(2-ethoxyacetyl)-6-azaspiro[2.5]octan-1-yl]benzamide

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

S968-0639

Molecular Formula

C18H24N2O3 (C18 H24 N2 O3)

Compound Name

N-[6-(2-ethoxyacetyl)-6-azaspiro[2.5]octan-1-yl]benzamide

IUPAC name

N-[6-(2-ethoxyacetyl)-6-azaspiro[2.5]octan-1-yl]benzamide

SMILES

CCOCC(N(CC1)CCC1(C1)C1NC(c1ccccc1)=O)=O

InChI

InChI=1S/C18H24N2O3/c1-2-23-13-16(21)20-10-8-18(9-11-20)12-15(18)19-17(22)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,22)/t15-/m0/s1

InChI Key

WBUIDTIPOSTHLN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32231971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.781

Distribution Coefficient, logD

0.781

Water Solubility, LogSw

-1.89

Polar Surface Area

49.278

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S968-0639 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S968-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0639?
Check Price and Availability of S968-0639, 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 S968-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0639
  • 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 S968-0639 available by request