SD08-0497 Screening compound: N,N-dimethyl-N'-{[1-(2-quinolinylcarbonyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea

SD08-0497 Screening compound: N,N-dimethyl-N'-{[1-(2-quinolinylcarbonyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea
SD08-0497 Screening compound: N,N-dimethyl-N'-{[1-(2-quinolinylcarbonyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SD08-0497
N,N-dimethyl-N'-{[1-(2-quinolinylcarbonyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea

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

SD08-0497

Molecular Formula

C23H27N7O3 (C23 H27 N7 O3)

Compound Name

N,N-dimethyl-N'-{[1-(2-quinolinylcarbonyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea

IUPAC name

n/a

SMILES

CN(C)C(NCc1c(COC(CCC2)(C3)CN2C(c2nc4ccccc4cc2)=O)n3nn1)=O

InChI

InChI=1S/C23H27N7O3/c1-28(2)22(32)24-12-19-20-13-33-23(15-30(20)27-26-19)10-5-11-29(14-23)21(31)18-9-8-16-6-3-4-7-17(16)25-18/h3-4,6-9H,5,10-15H2,1-2H3,(H,24,32)/t23-/m1/s1

InChI Key

NRHLHTBZMMNLBT-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.792

Distribution Coefficient, logD

0.792

Water Solubility, LogSw

-2.26

Polar Surface Area

85.138

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

SD08-0497 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD08-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SD08-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0497
  • 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 SD08-0497 available by request