C697-0777 Screening compound: N-(3-CHLORO-4-FLUOROPHENYL)-1-(8-QUINOLYLSULFONYL)-3-PIPERIDINECARBOXAMIDE

C697-0777 Screening compound: N-(3-CHLORO-4-FLUOROPHENYL)-1-(8-QUINOLYLSULFONYL)-3-PIPERIDINECARBOXAMIDE
C697-0777 Screening compound: N-(3-CHLORO-4-FLUOROPHENYL)-1-(8-QUINOLYLSULFONYL)-3-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-0777
N-(3-CHLORO-4-FLUOROPHENYL)-1-(8-QUINOLYLSULFONYL)-3-PIPERIDINECARBOXAMIDE

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

C697-0777

Molecular Formula

C21H19ClFN3O3S (C21 H19 ClFN3 O3 S)

Compound Name

N-(3-CHLORO-4-FLUOROPHENYL)-1-(8-QUINOLYLSULFONYL)-3-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(CCC1)CN1S(c1cccc2cccnc12)(=O)=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C21H19ClFN3O3S/c22-17-12-16(8-9-18(17)23)25-21(27)15-6-3-11-26(13-15)30(28,29)19-7-1-4-14-5-2-10-24-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,25,27)/t15-/m0/s1

InChI Key

ZYICOBGCMHYLLZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14784004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.52

Polar Surface Area

64.507

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

C697-0777 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C697-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-0777?
Check Price and Availability of C697-0777, 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 C697-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-0777
  • 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 C697-0777 available by request