K788-8999 Screening compound: N-(2-methylcyclohexyl)-2-[(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)thio]acetamide

K788-8999 Screening compound: N-(2-methylcyclohexyl)-2-[(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)thio]acetamide
K788-8999 Screening compound: N-(2-methylcyclohexyl)-2-[(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)thio]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8999
N-(2-methylcyclohexyl)-2-[(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)thio]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

K788-8999

Molecular Formula

C23H33NO2S (C23 H33 NO2 S)

Compound Name

N-(2-methylcyclohexyl)-2-[(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)thio]acetamide

IUPAC name

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

SMILES

CC(CCCC1)C1NC(CSC1c(cc(C)cc2)c2OC2(CCCC2)C1)=O

InChI

InChI=1S/C23H33NO2S/c1-16-9-10-20-18(13-16)21(14-23(26-20)11-5-6-12-23)27-15-22(25)24-19-8-4-3-7-17(19)2/h9-10,13,17,19,21H,3-8,11-12,14-15H2,1-2H3,(H,24,25)

InChI Key

VOPBHKZODMWSTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.320

Distribution Coefficient, logD

5.320

Water Solubility, LogSw

-5.26

Polar Surface Area

30.655

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

69.57

K788-8999 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-8999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8999?
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What is the minimum amount of K788-8999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8999
  • 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 K788-8999 available by request