8010-3533 Screening compound: 6-(2,5-dichlorophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

8010-3533 Screening compound: 6-(2,5-dichlorophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol
8010-3533 Screening compound: 6-(2,5-dichlorophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3533
6-(2,5-dichlorophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

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

8010-3533

Molecular Formula

C22H13Cl2NOS (C22 H13 Cl2 NOS)

Compound Name

6-(2,5-dichlorophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

IUPAC name

10-(25-dichlorophenyl)-9-thia-2-azatetracyclo[9.7.0.0^{38}.0^{1318}]octadeca-13571113(18)1416-octaen-12-ol

SMILES

OC(c1c2cccc1)=C1C2=Nc(cccc2)c2SC1c(cc(cc1)Cl)c1Cl

InChI

InChI=1S/C22H13Cl2NOS/c23-12-9-10-16(24)15(11-12)22-19-20(13-5-1-2-6-14(13)21(19)26)25-17-7-3-4-8-18(17)27-22/h1-11,22,26H/t22-/m1/s1

InChI Key

VDRFZQVRKQLURM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01859134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.874

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-5.83

Polar Surface Area

22.906

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.55

8010-3533 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 8010-3533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3533?
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What is the minimum amount of 8010-3533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3533
  • 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 8010-3533 available by request