C385-0022 Screening compound: 4-oxo-3-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide

C385-0022 Screening compound: 4-oxo-3-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide
C385-0022 Screening compound: 4-oxo-3-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C385-0022
4-oxo-3-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide

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

C385-0022

Molecular Formula

C21H18F3N3O4S (C21 H18 F3 N3 O4 S)

Compound Name

4-oxo-3-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide

IUPAC name

4-oxo-3-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-14-dihydroquinoline-6-sulfonamide

SMILES

O=C(C1=CNc(ccc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c2)c2C1=O)N1CCCC1

InChI

InChI=1S/C21H18F3N3O4S/c22-21(23,24)13-4-3-5-14(10-13)26-32(30,31)15-6-7-18-16(11-15)19(28)17(12-25-18)20(29)27-8-1-2-9-27/h3-7,10-12,26H,1-2,8-9H2,(H,25,28)

InChI Key

DIYUMODMDLRAMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-3.98

Polar Surface Area

82.022

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C385-0022 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C385-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C385-0022?
Check Price and Availability of C385-0022, 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 C385-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C385-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C385-0022
  • 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 C385-0022 available by request