C186-0027 Screening compound: 2-(2-ethylpiperidine-1-carbonyl)-4H-thieno[3,2-c]chromen-4-one

C186-0027 Screening compound: 2-(2-ethylpiperidine-1-carbonyl)-4H-thieno[3,2-c]chromen-4-one
C186-0027 Screening compound: 2-(2-ethylpiperidine-1-carbonyl)-4H-thieno[3,2-c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0027
2-(2-ethylpiperidine-1-carbonyl)-4H-thieno[3,2-c]chromen-4-one

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

C186-0027

Molecular Formula

C19H19NO3S (C19 H19 NO3 S)

Compound Name

2-(2-ethylpiperidine-1-carbonyl)-4H-thieno[3,2-c]chromen-4-one

IUPAC name

2-(2-ethylpiperidine-1-carbonyl)-4H-thieno[32-c]chromen-4-one

SMILES

CCC(CCCC1)N1C(c1cc(C(Oc2c-3cccc2)=O)c3s1)=O

InChI

InChI=1S/C19H19NO3S/c1-2-12-7-5-6-10-20(12)18(21)16-11-14-17(24-16)13-8-3-4-9-15(13)23-19(14)22/h3-4,8-9,11-12H,2,5-7,10H2,1H3/t12-/m0/s1

InChI Key

LNVKFVBYCGSXQU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05031743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.29

Polar Surface Area

38.201

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

C186-0027 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C186-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0027?
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What is the minimum amount of C186-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0027
  • 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 C186-0027 available by request