SD08-0945 Screening compound: N-{[1-(methoxyacetyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbutanamide

SD08-0945 Screening compound: N-{[1-(methoxyacetyl)-4'H-spiro[piperidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbutanamide
SD08-0945 Screening compound: N-{[1-(methoxyacetyl)-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 SD08-0945
N-{[1-(methoxyacetyl)-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

SD08-0945

Molecular Formula

C18H29N5O4 (C18 H29 N5 O4)

Compound Name

N-{[1-(methoxyacetyl)-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(COC)=O)n3nn1)=O

InChI

InChI=1S/C18H29N5O4/c1-13(2)7-16(24)19-8-14-15-9-27-18(12-23(15)21-20-14)5-4-6-22(11-18)17(25)10-26-3/h13H,4-12H2,1-3H3,(H,19,24)/t18-/m1/s1

InChI Key

PENPOKXYJBQPAM-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.298

Distribution Coefficient, logD

-0.298

Water Solubility, LogSw

-0.80

Polar Surface Area

83.304

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

SD08-0945 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 SD08-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD08-0945?
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What is the minimum amount of SD08-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD08-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD08-0945
  • 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 SD08-0945 available by request