C685-0682 Screening compound: ethyl 1-{3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzoyl}-4-piperidinecarboxylate

C685-0682 Screening compound: ethyl 1-{3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzoyl}-4-piperidinecarboxylate
C685-0682 Screening compound: ethyl 1-{3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzoyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0682
ethyl 1-{3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzoyl}-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

C685-0682

Molecular Formula

C21H27N3O5S2 (C21 H27 N3 O5 S2)

Compound Name

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

IUPAC name

n/a

SMILES

CCOC(C(CC1)CCN1C(c1cc(NC2=NC(CS(C3)(=O)=O)C3S2)c(C)cc1)=O)=O

InChI

InChI=1S/C21H27N3O5S2/c1-3-29-20(26)14-6-8-24(9-7-14)19(25)15-5-4-13(2)16(10-15)22-21-23-17-11-31(27,28)12-18(17)30-21/h4-5,10,14,17-18H,3,6-9,11-12H2,1-2H3,(H,22,23)

InChI Key

CFXWPGSMTWEEHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

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

1.717

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-2.63

Polar Surface Area

84.046

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with C685-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0682?
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What is the minimum amount of C685-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0682
  • 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 C685-0682 available by request