SD07-0829 Screening compound: N-{[1-(2-methylpropyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-1-sulfonamide

SD07-0829 Screening compound: N-{[1-(2-methylpropyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-1-sulfonamide
SD07-0829 Screening compound: N-{[1-(2-methylpropyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD07-0829
N-{[1-(2-methylpropyl)-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-1-sulfonamide

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

SD07-0829

Molecular Formula

C16H29N5O3S (C16 H29 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCS(NCc1c(COC2(CN(CC(C)C)CC2)C2)n2nn1)(=O)=O

InChI

InChI=1S/C16H29N5O3S/c1-4-7-25(22,23)17-8-14-15-10-24-16(12-21(15)19-18-14)5-6-20(11-16)9-13(2)3/h13,17H,4-12H2,1-3H3/t16-/m0/s1

InChI Key

KKFKPZTWXIBKQZ-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.985

Distribution Coefficient, logD

-0.689

Water Solubility, LogSw

-1.83

Polar Surface Area

82.043

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

87.50

SD07-0829 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 SD07-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD07-0829?
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What is the minimum amount of SD07-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD07-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD07-0829
  • 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 SD07-0829 available by request