SC44-0120 Screening compound: 4-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methylphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SC44-0120 Screening compound: 4-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methylphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SC44-0120 Screening compound: 4-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methylphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC44-0120
4-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methylphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-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

SC44-0120

Molecular Formula

C21H31N3O4 (C21 H31 N3 O4)

Compound Name

4-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methylphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

IUPAC name

4-[(dimethylcarbamoyl)methoxy]-N-(2-methylphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SMILES

Cc(cccc1)c1NC(N(CC1)CCC1(C1)OCCC1OCC(N(C)C)=O)=O

InChI

InChI=1S/C21H31N3O4/c1-16-6-4-5-7-18(16)22-20(26)24-11-9-21(10-12-24)14-17(8-13-28-21)27-15-19(25)23(2)3/h4-7,17H,8-15H2,1-3H3,(H,22,26)/t17-/m1/s1

InChI Key

PHKZRAZUHWROKM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32258886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.089

Distribution Coefficient, logD

1.089

Water Solubility, LogSw

-1.97

Polar Surface Area

54.098

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SC44-0120 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 SC44-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC44-0120?
Check Price and Availability of SC44-0120, 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 SC44-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC44-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC44-0120
  • 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 SC44-0120 available by request