SD08-0516 Screening compound: N,N-dimethyl-N'-{[1-(2-thienylcarbonyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea

SD08-0516 Screening compound: N,N-dimethyl-N'-{[1-(2-thienylcarbonyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}urea
SD08-0516 Screening compound: N,N-dimethyl-N'-{[1-(2-thienylcarbonyl)-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 SD08-0516
N,N-dimethyl-N'-{[1-(2-thienylcarbonyl)-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

SD08-0516

Molecular Formula

C18H24N6O3S (C18 H24 N6 O3 S)

Compound Name

N,N-dimethyl-N'-{[1-(2-thienylcarbonyl)-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(c2cccs2)=O)n3nn1)=O

InChI

InChI=1S/C18H24N6O3S/c1-22(2)17(26)19-9-13-14-10-27-18(12-24(14)21-20-13)6-4-7-23(11-18)16(25)15-5-3-8-28-15/h3,5,8H,4,6-7,9-12H2,1-2H3,(H,19,26)/t18-/m1/s1

InChI Key

KOYHYJBFXLSXBB-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.209

Distribution Coefficient, logD

0.209

Water Solubility, LogSw

-2.13

Polar Surface Area

77.826

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SD08-0516 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 SD08-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD08-0516?
Check Price and Availability of SD08-0516, 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 SD08-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0516
  • 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 SD08-0516 available by request