8011-7018 Screening compound: 4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-en-1-yl cyanide

8011-7018 Screening compound: 4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-en-1-yl cyanide
8011-7018 Screening compound: 4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-en-1-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7018
4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-en-1-yl cyanide

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

8011-7018

Molecular Formula

C20H20N4S2 (C20 H20 N4 S2)

Compound Name

4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-en-1-yl cyanide

IUPAC name

4-imino-5-(4-phenyl-13-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile

SMILES

N=C(C(C12CCCCC2)c2nc(-c3ccccc3)cs2)NC(S)=C1C#N

InChI

InChI=1S/C20H20N4S2/c21-11-14-18(25)24-17(22)16(20(14)9-5-2-6-10-20)19-23-15(12-26-19)13-7-3-1-4-8-13/h1,3-4,7-8,12,16,25H,2,5-6,9-10H2,(H2,22,24)/t16-/m1/s1

InChI Key

UWPXIEPPMYTAMU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02712988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.21

Polar Surface Area

55.206

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8011-7018 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8011-7018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7018?
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What is the minimum amount of 8011-7018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7018
  • 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 8011-7018 available by request