SD25-0197 Screening compound: N~1~-cyclopropyl-3-(2-{3-[2-oxo-1,3-benzoxazol-3(2H)-yl]propanoyl}-2-azaspiro[4.5]dec-4-yl)propanamide

SD25-0197 Screening compound: N~1~-cyclopropyl-3-(2-{3-[2-oxo-1,3-benzoxazol-3(2H)-yl]propanoyl}-2-azaspiro[4.5]dec-4-yl)propanamide
SD25-0197 Screening compound: N~1~-cyclopropyl-3-(2-{3-[2-oxo-1,3-benzoxazol-3(2H)-yl]propanoyl}-2-azaspiro[4.5]dec-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD25-0197
N~1~-cyclopropyl-3-(2-{3-[2-oxo-1,3-benzoxazol-3(2H)-yl]propanoyl}-2-azaspiro[4.5]dec-4-yl)propanamide

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

SD25-0197

Molecular Formula

C25H33N3O4 (C25 H33 N3 O4)

Compound Name

N~1~-cyclopropyl-3-(2-{3-[2-oxo-1,3-benzoxazol-3(2H)-yl]propanoyl}-2-azaspiro[4.5]dec-4-yl)propanamide

IUPAC name

N-cyclopropyl-3-{2-[3-(2-oxo-23-dihydro-13-benzoxazol-3-yl)propanoyl]-2-azaspiro[4.5]decan-4-yl}propanamide

SMILES

O=C(CCC(CN(C1)C(CCN(c(cccc2)c2O2)C2=O)=O)C11CCCCC1)NC1CC1

InChI

InChI=1S/C25H33N3O4/c29-22(26-19-9-10-19)11-8-18-16-27(17-25(18)13-4-1-5-14-25)23(30)12-15-28-20-6-2-3-7-21(20)32-24(28)31/h2-3,6-7,18-19H,1,4-5,8-17H2,(H,26,29)/t18-/m1/s1

InChI Key

GYNJGVZLGZQECT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32260577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.27

Polar Surface Area

63.848

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

SD25-0197 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 SD25-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD25-0197?
Check Price and Availability of SD25-0197, 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 SD25-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD25-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD25-0197
  • 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 SD25-0197 available by request