SD07-0192 Screening compound: 2-methyl-N-{[1-(thiophen-3-ylacetyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propanamide

SD07-0192 Screening compound: 2-methyl-N-{[1-(thiophen-3-ylacetyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propanamide
SD07-0192 Screening compound: 2-methyl-N-{[1-(thiophen-3-ylacetyl)-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 SD07-0192
2-methyl-N-{[1-(thiophen-3-ylacetyl)-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

SD07-0192

Molecular Formula

C19H25N5O3S (C19 H25 N5 O3 S)

Compound Name

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

SMILES

CC(C)C(NCc1c(COC(CC2)(CN2C(Cc2cscc2)=O)C2)n2nn1)=O

InChI

InChI=1S/C19H25N5O3S/c1-13(2)18(26)20-8-15-16-9-27-19(12-24(16)22-21-15)4-5-23(11-19)17(25)7-14-3-6-28-10-14/h3,6,10,13H,4-5,7-9,11-12H2,1-2H3,(H,20,26)/t19-/m0/s1

InChI Key

KHYVIGSGYZLDHJ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.824

Distribution Coefficient, logD

0.824

Water Solubility, LogSw

-2.21

Polar Surface Area

76.206

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SD07-0192 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 SD07-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0192?
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What is the minimum amount of SD07-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0192
  • 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 SD07-0192 available by request