5695-0983 Screening compound: ethyl 4-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)-8-(trifluoromethyl)quinoline-3-carboxylate

5695-0983 Screening compound: ethyl 4-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)-8-(trifluoromethyl)quinoline-3-carboxylate
5695-0983 Screening compound: ethyl 4-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)-8-(trifluoromethyl)quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0983
ethyl 4-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)-8-(trifluoromethyl)quinoline-3-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

5695-0983

Molecular Formula

C23H18F3N5O4S (C23 H18 F3 N5 O4 S)

Compound Name

ethyl 4-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)-8-(trifluoromethyl)quinoline-3-carboxylate

IUPAC name

ethyl 4-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)-8-(trifluoromethyl)quinoline-3-carboxylate

SMILES

CCOC(c(cnc1c(C(F)(F)F)cccc11)c1Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)=O

InChI

InChI=1S/C23H18F3N5O4S/c1-2-35-21(32)17-13-29-20-16(5-3-6-18(20)23(24,25)26)19(17)30-14-7-9-15(10-8-14)36(33,34)31-22-27-11-4-12-28-22/h3-13H,2H2,1H3,(H,29,30)(H,27,28,31)

InChI Key

FQRXVQLNBGYEGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03786316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.76

Polar Surface Area

99.351

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

5695-0983 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5695-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0983?
Check Price and Availability of 5695-0983, 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 5695-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0983
  • 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 5695-0983 available by request