K284-4576 Screening compound: ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

K284-4576 Screening compound: ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
K284-4576 Screening compound: ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4576
ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-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

K284-4576

Molecular Formula

C23H24N4O5S (C23 H24 N4 O5 S)

Compound Name

ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

IUPAC name

ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N1C(SCc2cc([N+]([O-])=O)ccc2)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C23H24N4O5S/c1-2-32-23(29)25-12-10-17(11-13-25)26-21(28)19-8-3-4-9-20(19)24-22(26)33-15-16-6-5-7-18(14-16)27(30)31/h3-9,14,17H,2,10-13,15H2,1H3

InChI Key

XJQIAHXOLMCNKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03721739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.15

Polar Surface Area

81.154

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

K284-4576 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K284-4576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4576?
Check Price and Availability of K284-4576, 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 K284-4576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4576
  • 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 K284-4576 available by request