3175-0380 Screening compound: (2Z)-2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one

3175-0380 Screening compound: (2Z)-2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one
3175-0380 Screening compound: (2Z)-2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3175-0380
(2Z)-2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-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

3175-0380

Molecular Formula

C16H11BrO3S (C16 H11 BrO3 S)

Compound Name

(2Z)-2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one

IUPAC name

(2Z)-2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-23-dihydro-1-benzothiophen-3-one

SMILES

COc(c(O)c1)cc(/C=C2\Sc(cccc3)c3C2=O)c1Br

InChI

InChI=1S/C16H11BrO3S/c1-20-13-6-9(11(17)8-12(13)18)7-15-16(19)10-4-2-3-5-14(10)21-15/h2-8,18H,1H3

InChI Key

NWFKSCJJBZDGNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-3.59

Polar Surface Area

37.578

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3175-0380 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3175-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3175-0380?
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What is the minimum amount of 3175-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3175-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3175-0380
  • 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 3175-0380 available by request