T003-0160 Screening compound: 3-azido-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(tetrahydro-2H-pyran-4-ylmethyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-propanone

T003-0160 Screening compound: 3-azido-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(tetrahydro-2H-pyran-4-ylmethyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-propanone
T003-0160 Screening compound: 3-azido-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(tetrahydro-2H-pyran-4-ylmethyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T003-0160
3-azido-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(tetrahydro-2H-pyran-4-ylmethyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-propanone

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

T003-0160

Molecular Formula

C20H31N7O3 (C20 H31 N7 O3)

Compound Name

3-azido-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(tetrahydro-2H-pyran-4-ylmethyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-propanone

IUPAC name

3-azido-1-[4-(5-methyl-134-oxadiazol-2-yl)-2-[(oxan-4-yl)methyl]-28-diazaspiro[4.5]decan-8-yl]propan-1-one

SMILES

Cc1nnc(C(CN(CC2CCOCC2)C2)C2(CC2)CCN2C(CCN=[N+]=[N-])=O)o1

InChI

InChI=1S/C20H31N7O3/c1-15-23-24-19(30-15)17-13-26(12-16-3-10-29-11-4-16)14-20(17)5-8-27(9-6-20)18(28)2-7-22-25-21/h16-17H,2-14H2,1H3/t17-/m1/s1

InChI Key

UTRNXSJRKNHVMV-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.105

Distribution Coefficient, logD

-3.721

Water Solubility, LogSw

-0.04

Polar Surface Area

99.686

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

11.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.00

T003-0160 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 T003-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T003-0160?
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What is the minimum amount of T003-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T003-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T003-0160
  • 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 T003-0160 available by request