K788-8305 Screening compound: 5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-{6-methyl-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-yl}furan-2-carboxamide

K788-8305 Screening compound: 5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-{6-methyl-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-yl}furan-2-carboxamide
K788-8305 Screening compound: 5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-{6-methyl-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8305
5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-{6-methyl-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-yl}furan-2-carboxamide

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

K788-8305

Molecular Formula

C27H27Cl2NO5S (C27 H27 Cl2 NO5 S)

Compound Name

5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-{6-methyl-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-yl}furan-2-carboxamide

IUPAC name

5-[(26-dichlorobenzenesulfonyl)methyl]-N-{6-methyl-34-dihydrospiro[1-benzopyran-21'-cyclohexan]-4-yl}furan-2-carboxamide

SMILES

Cc(cc1)cc2c1OC1(CCCCC1)CC2NC(c1ccc(CS(c(c(Cl)ccc2)c2Cl)(=O)=O)o1)=O

InChI

InChI=1S/C27H27Cl2NO5S/c1-17-8-10-23-19(14-17)22(15-27(35-23)12-3-2-4-13-27)30-26(31)24-11-9-18(34-24)16-36(32,33)25-20(28)6-5-7-21(25)29/h5-11,14,22H,2-4,12-13,15-16H2,1H3,(H,30,31)/t22-/m0/s1

InChI Key

ZZMFWIHWUJANQL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15107671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.943

Distribution Coefficient, logD

5.943

Water Solubility, LogSw

-5.97

Polar Surface Area

66.917

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

K788-8305 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antiviral HBV Library (10007 compounds)

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-8305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8305?
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What is the minimum amount of K788-8305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8305
  • 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 K788-8305 available by request