C072-0263 Screening compound: N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide

C072-0263 Screening compound: N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide
C072-0263 Screening compound: N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C072-0263
N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-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

C072-0263

Molecular Formula

C22H23FN2O3S (C22 H23 FN2 O3 S)

Compound Name

N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide

IUPAC name

N-(22-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide

SMILES

CCOC(CNC(c1cc(Sc(cc2)ccc2F)nc2ccccc12)=O)OCC

InChI

InChI=1S/C22H23FN2O3S/c1-3-27-21(28-4-2)14-24-22(26)18-13-20(25-19-8-6-5-7-17(18)19)29-16-11-9-15(23)10-12-16/h5-13,21H,3-4,14H2,1-2H3,(H,24,26)

InChI Key

VVXFAWKVNTULKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.765

Distribution Coefficient, logD

4.765

Water Solubility, LogSw

-4.73

Polar Surface Area

46.998

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C072-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C072-0263?
Check Price and Availability of C072-0263, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C072-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C072-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C072-0263
  • 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 C072-0263 available by request