C918-0023 Screening compound: ethyl 1-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-piperidinecarboxylate

C918-0023 Screening compound: ethyl 1-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-piperidinecarboxylate
C918-0023 Screening compound: ethyl 1-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0023
ethyl 1-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-piperidinecarboxylate

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

C918-0023

Molecular Formula

C20H20ClNO5S2 (C20 H20 ClNO5 S2)

Compound Name

ethyl 1-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-piperidinecarboxylate

IUPAC name

ethyl 1-{7-chloro-55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1cc(CS(c2c-3ccc(Cl)c2)(=O)=O)c3s1)=O)=O

InChI

InChI=1S/C20H20ClNO5S2/c1-2-27-20(24)12-5-7-22(8-6-12)19(23)16-9-13-11-29(25,26)17-10-14(21)3-4-15(17)18(13)28-16/h3-4,9-10,12H,2,5-8,11H2,1H3

InChI Key

VXDFZQQEWFOWFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

3.709

Water Solubility, LogSw

-4.12

Polar Surface Area

66.834

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C918-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0023?
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What is the minimum amount of C918-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0023
  • 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 C918-0023 available by request