3343-0392 Screening compound: ethyl 4-{5-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate

3343-0392 Screening compound: ethyl 4-{5-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate
3343-0392 Screening compound: ethyl 4-{5-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-0392
ethyl 4-{5-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate

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

3343-0392

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

ethyl 4-{5-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{5-[(1E)-2-(13-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c1ccc(/C=C(/c2nc(cccc3)c3s2)\C#N)o1)=O

InChI

InChI=1S/C21H20N4O3S/c1-2-27-21(26)25-11-9-24(10-12-25)19-8-7-16(28-19)13-15(14-22)20-23-17-5-3-4-6-18(17)29-20/h3-8,13H,2,9-12H2,1H3

InChI Key

CKEHZLVWEOLVIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.22

Polar Surface Area

61.425

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3343-0392 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 3343-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-0392?
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What is the minimum amount of 3343-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-0392
  • 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 3343-0392 available by request