4308-0370 Screening compound: (5Z)-1-acetyl-5-{[6-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

4308-0370 Screening compound: (5Z)-1-acetyl-5-{[6-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
4308-0370 Screening compound: (5Z)-1-acetyl-5-{[6-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4308-0370
(5Z)-1-acetyl-5-{[6-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

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

4308-0370

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

(5Z)-1-acetyl-5-{[6-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-1-acetyl-5-{[6-methoxy-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

SMILES

CC(N(/C(/C(N1)=O)=C\c2cc3cc(OC)ccc3nc2N2CCCCC2)C1=S)=O

InChI

InChI=1S/C21H22N4O3S/c1-13(26)25-18(20(27)23-21(25)29)12-15-10-14-11-16(28-2)6-7-17(14)22-19(15)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,27,29)

InChI Key

YSUSOZARZSVROM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02995018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

0.074

Water Solubility, LogSw

-3.52

Polar Surface Area

59.556

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4308-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4308-0370?
Check Price and Availability of 4308-0370, 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 4308-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4308-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4308-0370
  • 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 4308-0370 available by request