8012-7088 Screening compound: 3,5-bis{[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile

8012-7088 Screening compound: 3,5-bis{[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile
8012-7088 Screening compound: 3,5-bis{[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7088
3,5-bis{[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile

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

8012-7088

Molecular Formula

C32H18Cl2N4O2S5 (C32 H18 Cl2 N4 O2 S5)

Compound Name

3,5-bis{[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile

IUPAC name

bis({[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]sulfanyl})-12-thiazole-4-carbonitrile

SMILES

N#Cc1c(SCC(N2c(cc(cc3)Cl)c3Sc3c2cccc3)=O)snc1SCC(N1c(cc(cc2)Cl)c2Sc2c1cccc2)=O

InChI

InChI=1S/C32H18Cl2N4O2S5/c33-18-9-11-27-23(13-18)37(21-5-1-3-7-25(21)43-27)29(39)16-41-31-20(15-35)32(45-36-31)42-17-30(40)38-22-6-2-4-8-26(22)44-28-12-10-19(34)14-24(28)38/h1-14H,16-17H2

InChI Key

HTKWDLQJJOSFPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

721.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.999

Distribution Coefficient, logD

8.999

Water Solubility, LogSw

-6.83

Polar Surface Area

54.125

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

References: we are preparing a list of scientific research reports with 8012-7088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7088?
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What is the minimum amount of 8012-7088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7088
  • 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 8012-7088 available by request