SD03-0894 Screening compound: N-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]acetamide

SD03-0894 Screening compound: N-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]acetamide
SD03-0894 Screening compound: N-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD03-0894
N-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]acetamide

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

SD03-0894

Molecular Formula

C20H30N6O5S (C20 H30 N6 O5 S)

Compound Name

N-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(methylsulfonyl)-2,8-diazaspiro[4.5]dec-2-yl]acetamide

IUPAC name

N-[(35-dimethyl-12-oxazol-4-yl)methyl]-2-[8-methanesulfonyl-3-(3-methyl-124-oxadiazol-5-yl)-28-diazaspiro[4.5]decan-2-yl]acetamide

SMILES

Cc1noc(C)c1CNC(CN(CC(C1)(CC2)CCN2S(C)(=O)=O)C1c1nc(C)no1)=O

InChI

InChI=1S/C20H30N6O5S/c1-13-16(14(2)30-23-13)10-21-18(27)11-25-12-20(5-7-26(8-6-20)32(4,28)29)9-17(25)19-22-15(3)24-31-19/h17H,5-12H2,1-4H3,(H,21,27)/t17-/m1/s1

InChI Key

SIKDWUOTPMQQNM-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.568

Distribution Coefficient, logD

0.564

Water Solubility, LogSw

-1.83

Polar Surface Area

113.133

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

References: we are preparing a list of scientific research reports with SD03-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SD03-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD03-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD03-0894
  • 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 SD03-0894 available by request