1288-0544 Screening compound: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

1288-0544 Screening compound: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
1288-0544 Screening compound: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1288-0544
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

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

1288-0544

Molecular Formula

C16H13BrN2OS (C16 H13 BrN2 OS)

Compound Name

4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

IUPAC name

4-bromo-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)benzamide

SMILES

N#Cc1c(NC(c(cc2)ccc2Br)=O)sc2c1CCCC2

InChI

InChI=1S/C16H13BrN2OS/c17-11-7-5-10(6-8-11)15(20)19-16-13(9-18)12-3-1-2-4-14(12)21-16/h5-8H,1-4H2,(H,19,20)

InChI Key

MATLRAQBZJFRSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00414715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

0.967

Water Solubility, LogSw

-4.58

Polar Surface Area

40.101

Acid Dissociation Constant (pKa)

3.86

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1288-0544 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Frequent Hitters Library (7624 compounds)

Human Kinases Annotated Library (2415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1288-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1288-0544?
Check Price and Availability of 1288-0544, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1288-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1288-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1288-0544
  • 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 1288-0544 available by request