C303-0498 Screening compound: 6-methoxy-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide

C303-0498 Screening compound: 6-methoxy-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide
C303-0498 Screening compound: 6-methoxy-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C303-0498
6-methoxy-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide

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

C303-0498

Molecular Formula

C20H13F3N2O2S (C20 H13 F3 N2 O2 S)

Compound Name

6-methoxy-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

6-methoxy-N-[4-(trifluoromethyl)phenyl]thieno[23-b]quinoline-2-carboxamide

SMILES

COc1ccc2nc3sc(C(Nc4ccc(C(F)(F)F)cc4)=O)cc3cc2c1

InChI

InChI=1S/C20H13F3N2O2S/c1-27-15-6-7-16-11(9-15)8-12-10-17(28-19(12)25-16)18(26)24-14-4-2-13(3-5-14)20(21,22)23/h2-10H,1H3,(H,24,26)

InChI Key

VXXVDMBJRDKJBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.937

Distribution Coefficient, logD

5.937

Water Solubility, LogSw

-5.96

Polar Surface Area

40.309

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C303-0498 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C303-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C303-0498?
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What is the minimum amount of C303-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C303-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C303-0498
  • 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 C303-0498 available by request