C303-0557 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxythieno[2,3-b]quinoline-2-carbonyl}piperazine

C303-0557 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxythieno[2,3-b]quinoline-2-carbonyl}piperazine
C303-0557 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxythieno[2,3-b]quinoline-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C303-0557
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxythieno[2,3-b]quinoline-2-carbonyl}piperazine

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

C303-0557

Molecular Formula

C25H23N3O4S (C25 H23 N3 O4 S)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxythieno[2,3-b]quinoline-2-carbonyl}piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-{6-methoxythieno[23-b]quinoline-2-carbonyl}piperazine

SMILES

COc1ccc2nc3sc(C(N4CCN(Cc(cc5)cc6c5OCO6)CC4)=O)cc3cc2c1

InChI

InChI=1S/C25H23N3O4S/c1-30-19-3-4-20-17(12-19)11-18-13-23(33-24(18)26-20)25(29)28-8-6-27(7-9-28)14-16-2-5-21-22(10-16)32-15-31-21/h2-5,10-13H,6-9,14-15H2,1H3

InChI Key

LFRJLNUVHYCUDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.327

Water Solubility, LogSw

-4.60

Polar Surface Area

54.522

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C303-0557 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C303-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C303-0557?
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What is the minimum amount of C303-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C303-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C303-0557
  • 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 C303-0557 available by request