SD07-0194 Screening compound: 2-methyl-N-{[1-(pyridin-3-ylsulfonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propanamide

SD07-0194 Screening compound: 2-methyl-N-{[1-(pyridin-3-ylsulfonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propanamide
SD07-0194 Screening compound: 2-methyl-N-{[1-(pyridin-3-ylsulfonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0194
2-methyl-N-{[1-(pyridin-3-ylsulfonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}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

SD07-0194

Molecular Formula

C18H24N6O4S (C18 H24 N6 O4 S)

Compound Name

2-methyl-N-{[1-(pyridin-3-ylsulfonyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propanamide

IUPAC name

2-methyl-N-{[1'-(pyridine-3-sulfonyl)-47-dihydrospiro[[123]triazolo[43-c][14]oxazine-63'-pyrrolidin]-3-yl]methyl}propanamide

SMILES

CC(C)C(NCc1c(COC(CC2)(CN2S(c2cnccc2)(=O)=O)C2)n2nn1)=O

InChI

InChI=1S/C18H24N6O4S/c1-13(2)17(25)20-9-15-16-10-28-18(12-24(16)22-21-15)5-7-23(11-18)29(26,27)14-4-3-6-19-8-14/h3-4,6,8,13H,5,7,9-12H2,1-2H3,(H,20,25)/t18-/m0/s1

InChI Key

UELFQSAAPOYMSF-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.124

Distribution Coefficient, logD

-0.124

Water Solubility, LogSw

-1.74

Polar Surface Area

100.295

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SD07-0194 in Drug Discovery

Included in Screening Libraries

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 SD07-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0194?
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What is the minimum amount of SD07-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0194
  • 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 SD07-0194 available by request