8018-5320 Screening compound: N-phenyl-3-[(phenylcarbamoyl)amino]-4-thia-1,2-diazaspiro[4.5]dec-2-ene-1-carboxamide

8018-5320 Screening compound: N-phenyl-3-[(phenylcarbamoyl)amino]-4-thia-1,2-diazaspiro[4.5]dec-2-ene-1-carboxamide
8018-5320 Screening compound: N-phenyl-3-[(phenylcarbamoyl)amino]-4-thia-1,2-diazaspiro[4.5]dec-2-ene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5320
N-phenyl-3-[(phenylcarbamoyl)amino]-4-thia-1,2-diazaspiro[4.5]dec-2-ene-1-carboxamide

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

8018-5320

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

N-phenyl-3-[(phenylcarbamoyl)amino]-4-thia-1,2-diazaspiro[4.5]dec-2-ene-1-carboxamide

IUPAC name

N-phenyl-3-[(phenylcarbamoyl)amino]-4-thia-12-diazaspiro[4.5]dec-2-ene-1-carboxamide

SMILES

O=C(NC(SC12CCCCC2)=NN1C(Nc1ccccc1)=O)Nc1ccccc1

InChI

InChI=1S/C21H23N5O2S/c27-18(22-16-10-4-1-5-11-16)24-19-25-26(21(29-19)14-8-3-9-15-21)20(28)23-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,23,28)(H2,22,24,25,27)

InChI Key

MTYFYYUWCBOLJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.69

Polar Surface Area

68.244

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8018-5320 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5320?
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What is the minimum amount of 8018-5320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5320
  • 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 8018-5320 available by request