SD08-0404 Screening compound: N-({1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)cyclopropanecarboxamide

SD08-0404 Screening compound: N-({1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)cyclopropanecarboxamide
SD08-0404 Screening compound: N-({1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD08-0404
N-({1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)cyclopropanecarboxamide

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

SD08-0404

Molecular Formula

C21H29N7O3 (C21 H29 N7 O3)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cc(C)nn1CC(N(CCC1)CC11OCc2c(CNC(C3CC3)=O)nnn2C1)=O

InChI

InChI=1S/C21H29N7O3/c1-14-8-15(2)27(24-14)10-19(29)26-7-3-6-21(12-26)13-28-18(11-31-21)17(23-25-28)9-22-20(30)16-4-5-16/h8,16H,3-7,9-13H2,1-2H3,(H,22,30)/t21-/m1/s1

InChI Key

KFZPVIKHCGDYCI-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.729

Distribution Coefficient, logD

-0.729

Water Solubility, LogSw

-1.07

Polar Surface Area

89.080

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with SD08-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD08-0404?
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What is the minimum amount of SD08-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0404
  • 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 SD08-0404 available by request