C593-0085 Screening compound: 1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}-4-(4-fluorophenyl)piperazine

C593-0085 Screening compound: 1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}-4-(4-fluorophenyl)piperazine
C593-0085 Screening compound: 1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}-4-(4-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0085
1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}-4-(4-fluorophenyl)piperazine

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

C593-0085

Molecular Formula

C22H17ClFN3OS (C22 H17 ClFN3 OS)

Compound Name

1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}-4-(4-fluorophenyl)piperazine

IUPAC name

1-{4-chlorothieno[32-c]quinoline-2-carbonyl}-4-(4-fluorophenyl)piperazine

SMILES

O=C(c1cc(c(Cl)nc2ccccc22)c2s1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C22H17ClFN3OS/c23-21-17-13-19(29-20(17)16-3-1-2-4-18(16)25-21)22(28)27-11-9-26(10-12-27)15-7-5-14(24)6-8-15/h1-8,13H,9-12H2

InChI Key

IGXBZYGCHPCDQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-6.06

Polar Surface Area

29.862

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C593-0085 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C593-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0085?
Check Price and Availability of C593-0085, 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 C593-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0085
  • 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 C593-0085 available by request