6228-1457 Screening compound: propyl 2-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-amido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

6228-1457 Screening compound: propyl 2-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-amido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
6228-1457 Screening compound: propyl 2-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-amido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1457
propyl 2-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-amido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-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

6228-1457

Molecular Formula

C28H31NO5S (C28 H31 NO5 S)

Compound Name

propyl 2-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-amido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

propyl 2-{5-[(23-dihydro-1H-inden-5-yloxy)methyl]furan-2-amido}-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCCOC(c1c(NC(c2ccc(COc3cc(CCC4)c4cc3)o2)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C28H31NO5S/c1-2-15-32-28(31)25-22-9-4-3-5-10-24(22)35-27(25)29-26(30)23-14-13-21(34-23)17-33-20-12-11-18-7-6-8-19(18)16-20/h11-14,16H,2-10,15,17H2,1H3,(H,29,30)

InChI Key

BYYFUOKCPYSRRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01920069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.137

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-5.78

Polar Surface Area

59.779

Acid Dissociation Constant (pKa)

4.40

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

6228-1457 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6228-1457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1457?
Check Price and Availability of 6228-1457, 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 6228-1457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1457
  • 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 6228-1457 available by request