T003-0336 Screening compound: 8-(3-azidopropanoyl)-4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

T003-0336 Screening compound: 8-(3-azidopropanoyl)-4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
T003-0336 Screening compound: 8-(3-azidopropanoyl)-4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound T003-0336
8-(3-azidopropanoyl)-4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

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

T003-0336

Molecular Formula

C16H19N5O4S (C16 H19 N5 O4 S)

Compound Name

8-(3-azidopropanoyl)-4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione

IUPAC name

8-(3-azidopropanoyl)-4-phenyl-1lambda6-thia-48-diazaspiro[4.5]decane-113-trione

SMILES

[N-]=[N+]=NCCC(N(CC1)CCC1(N(C(C1)=O)c2ccccc2)S1(=O)=O)=O

InChI

InChI=1S/C16H19N5O4S/c17-19-18-9-6-14(22)20-10-7-16(8-11-20)21(13-4-2-1-3-5-13)15(23)12-26(16,24)25/h1-5H,6-12H2

InChI Key

SDEMQOWRNVNUJQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.570

Distribution Coefficient, logD

-1.612

Water Solubility, LogSw

-1.70

Polar Surface Area

102.328

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T003-0336 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 T003-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T003-0336?
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What is the minimum amount of T003-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T003-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T003-0336
  • 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 T003-0336 available by request