SD08-0891 Screening compound: N-({1-[(3-fluoro-2-pyridinyl)carbonyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbutanamide

SD08-0891 Screening compound: N-({1-[(3-fluoro-2-pyridinyl)carbonyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbutanamide
SD08-0891 Screening compound: N-({1-[(3-fluoro-2-pyridinyl)carbonyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD08-0891
N-({1-[(3-fluoro-2-pyridinyl)carbonyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbutanamide

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

SD08-0891

Molecular Formula

C21H27FN6O3 (C21 H27 FN6 O3)

Compound Name

N-({1-[(3-fluoro-2-pyridinyl)carbonyl]-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-3-methylbutanamide

IUPAC name

n/a

SMILES

CC(C)CC(NCc1c(COC(CCC2)(C3)CN2C(c(nccc2)c2F)=O)n3nn1)=O

InChI

InChI=1S/C21H27FN6O3/c1-14(2)9-18(29)24-10-16-17-11-31-21(13-28(17)26-25-16)6-4-8-27(12-21)20(30)19-15(22)5-3-7-23-19/h3,5,7,14H,4,6,8-13H2,1-2H3,(H,24,29)/t21-/m1/s1

InChI Key

RQRIGZKXSLKVNK-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.738

Distribution Coefficient, logD

0.738

Water Solubility, LogSw

-1.81

Polar Surface Area

84.954

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with SD08-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD08-0891?
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What is the minimum amount of SD08-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0891
  • 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 SD08-0891 available by request