K783-6201 Screening compound: 2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentan]-4-ylsulfanyl}-N-[(4-methylphenyl)methyl]acetamide

K783-6201 Screening compound: 2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentan]-4-ylsulfanyl}-N-[(4-methylphenyl)methyl]acetamide
K783-6201 Screening compound: 2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentan]-4-ylsulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-6201
2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentan]-4-ylsulfanyl}-N-[(4-methylphenyl)methyl]acetamide

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

K783-6201

Molecular Formula

C25H31NO3S (C25 H31 NO3 S)

Compound Name

2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentan]-4-ylsulfanyl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{6-ethoxy-34-dihydrospiro[1-benzopyran-21'-cyclopentan]-4-ylsulfanyl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

CCOc(cc1)cc2c1OC1(CCCC1)CC2SCC(NCc1ccc(C)cc1)=O

InChI

InChI=1S/C25H31NO3S/c1-3-28-20-10-11-22-21(14-20)23(15-25(29-22)12-4-5-13-25)30-17-24(27)26-16-19-8-6-18(2)7-9-19/h6-11,14,23H,3-5,12-13,15-17H2,1-2H3,(H,26,27)/t23-/m0/s1

InChI Key

GVMMOFPRCIZMRO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15096356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.198

Distribution Coefficient, logD

5.198

Water Solubility, LogSw

-5.00

Polar Surface Area

37.664

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

K783-6201 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K783-6201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-6201?
Check Price and Availability of K783-6201, 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 K783-6201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-6201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-6201
  • 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 K783-6201 available by request