1328-0195 Screening compound: 9,10-dibromo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one

1328-0195 Screening compound: 9,10-dibromo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
1328-0195 Screening compound: 9,10-dibromo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1328-0195
9,10-dibromo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one

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

1328-0195

Molecular Formula

C13H8Br2OS (C13 H8 Br2 OS)

Compound Name

9,10-dibromo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one

IUPAC name

89-dibromo-6-thiatricyclo[8.4.0.0^{37}]tetradeca-1(10)3(7)41113-pentaen-2-one

SMILES

O=C(c1c(C(C2Br)Br)scc1)c1c2cccc1

InChI

InChI=1S/C13H8Br2OS/c14-10-7-3-1-2-4-8(7)12(16)9-5-6-17-13(9)11(10)15/h1-6,10-11H

InChI Key

FMLHOINVMYQJPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00179025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.08

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.757

Distribution Coefficient, logD

4.757

Water Solubility, LogSw

-4.96

Polar Surface Area

14.383

Acid Dissociation Constant (pKa)

20.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.40

1328-0195 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1328-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1328-0195?
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What is the minimum amount of 1328-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1328-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1328-0195
  • 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 1328-0195 available by request