K248-0087 Screening compound: ethyl 1-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzoyl}-4-piperidinecarboxylate

K248-0087 Screening compound: ethyl 1-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzoyl}-4-piperidinecarboxylate
K248-0087 Screening compound: ethyl 1-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzoyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0087
ethyl 1-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzoyl}-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

K248-0087

Molecular Formula

C20H25N3O5S2 (C20 H25 N3 O5 S2)

Compound Name

ethyl 1-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzoyl}-4-piperidinecarboxylate

IUPAC name

ethyl 1-[4-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)benzoyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)=O)=O

InChI

InChI=1S/C20H25N3O5S2/c1-2-28-19(25)14-7-9-23(10-8-14)18(24)13-3-5-15(6-4-13)21-20-22-16-11-30(26,27)12-17(16)29-20/h3-6,14,16-17H,2,7-12H2,1H3,(H,21,22)

InChI Key

KWQNYGVIVYDOCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.430

Distribution Coefficient, logD

1.430

Water Solubility, LogSw

-2.42

Polar Surface Area

84.744

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with K248-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0087?
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What is the minimum amount of K248-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0087
  • 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 K248-0087 available by request