SD02-0465 Screening compound: N~1~-cyclopropyl-2-[8-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-2-yl]acetamide

SD02-0465 Screening compound: N~1~-cyclopropyl-2-[8-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-2-yl]acetamide
SD02-0465 Screening compound: N~1~-cyclopropyl-2-[8-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD02-0465
N~1~-cyclopropyl-2-[8-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-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

SD02-0465

Molecular Formula

C26H38N6O4 (C26 H38 N6 O4)

Compound Name

N~1~-cyclopropyl-2-[8-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-2-yl]acetamide

IUPAC name

N-cyclopropyl-2-{8-[3-(35-dimethyl-12-oxazol-4-yl)propanoyl]-3-[5-(propan-2-yl)-134-oxadiazol-2-yl]-28-diazaspiro[4.5]decan-2-yl}acetamide

SMILES

CC(C)c1nnc(C(C2)N(CC(NC3CC3)=O)CC2(CC2)CCN2C(CCc2c(C)onc2C)=O)o1

InChI

InChI=1S/C26H38N6O4/c1-16(2)24-28-29-25(35-24)21-13-26(15-32(21)14-22(33)27-19-5-6-19)9-11-31(12-10-26)23(34)8-7-20-17(3)30-36-18(20)4/h16,19,21H,5-15H2,1-4H3,(H,27,33)/t21-/m1/s1

InChI Key

FJITVYJLVZDRCW-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.427

Distribution Coefficient, logD

0.360

Water Solubility, LogSw

-1.73

Polar Surface Area

97.061

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.08

SD02-0465 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD02-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD02-0465?
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What is the minimum amount of SD02-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD02-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD02-0465
  • 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 SD02-0465 available by request