2260-0678 Screening compound: methyl 3-[2-(4-bromophenyl)quinoline-4-amido]thiophene-2-carboxylate

2260-0678 Screening compound: methyl 3-[2-(4-bromophenyl)quinoline-4-amido]thiophene-2-carboxylate
2260-0678 Screening compound: methyl 3-[2-(4-bromophenyl)quinoline-4-amido]thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2260-0678
methyl 3-[2-(4-bromophenyl)quinoline-4-amido]thiophene-2-carboxylate

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

2260-0678

Molecular Formula

C22H15BrN2O3S (C22 H15 BrN2 O3 S)

Compound Name

methyl 3-[2-(4-bromophenyl)quinoline-4-amido]thiophene-2-carboxylate

IUPAC name

methyl 3-[2-(4-bromophenyl)quinoline-4-amido]thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(c1cc(-c(cc2)ccc2Br)nc2ccccc12)=O)=O

InChI

InChI=1S/C22H15BrN2O3S/c1-28-22(27)20-18(10-11-29-20)25-21(26)16-12-19(13-6-8-14(23)9-7-13)24-17-5-3-2-4-15(16)17/h2-12H,1H3,(H,25,26)

InChI Key

SCWCPQLRZCDJJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01339728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.006

Distribution Coefficient, logD

5.983

Water Solubility, LogSw

-5.83

Polar Surface Area

52.883

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2260-0678 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2260-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2260-0678?
Check Price and Availability of 2260-0678, 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 2260-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2260-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2260-0678
  • 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 2260-0678 available by request