3759-1288 Screening compound: 3-({3-[(2-methoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

3759-1288 Screening compound: 3-({3-[(2-methoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid
3759-1288 Screening compound: 3-({3-[(2-methoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3759-1288
3-({3-[(2-methoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

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

3759-1288

Molecular Formula

C21H24N2O5S (C21 H24 N2 O5 S)

Compound Name

3-({3-[(2-methoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

IUPAC name

3-({3-[(2-methoxyphenyl)carbamoyl]-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

SMILES

COc(cccc1)c1NC(c1c(NC(CCC(O)=O)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C21H24N2O5S/c1-28-15-9-6-5-8-14(15)22-20(27)19-13-7-3-2-4-10-16(13)29-21(19)23-17(24)11-12-18(25)26/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)

InChI Key

DFGDSWGIYUFWQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01989474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.231

Distribution Coefficient, logD

0.282

Water Solubility, LogSw

-3.81

Polar Surface Area

81.841

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3759-1288 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3759-1288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3759-1288?
Check Price and Availability of 3759-1288, 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 3759-1288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3759-1288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3759-1288
  • 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 3759-1288 available by request