K284-5404 Screening compound: 7-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

K284-5404 Screening compound: 7-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
K284-5404 Screening compound: 7-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5404
7-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-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

K284-5404

Molecular Formula

C28H26N4O4S (C28 H26 N4 O4 S)

Compound Name

7-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

IUPAC name

7-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-2H5H6H7H8H-[13]dioxolo[45-g]quinazolin-8-one

SMILES

O=C(c1ccc(CN(C(c(cc2OCOc2c2)c2N2)=O)C2=S)cc1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C28H26N4O4S/c33-26(31-12-10-30(11-13-31)16-19-4-2-1-3-5-19)21-8-6-20(7-9-21)17-32-27(34)22-14-24-25(36-18-35-24)15-23(22)29-28(32)37/h1-9,14-15H,10-13,16-18H2,(H,29,37)

InChI Key

WBSICYNPHHQJTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.580

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.84

Polar Surface Area

64.622

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K284-5404 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 K284-5404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5404?
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What is the minimum amount of K284-5404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5404
  • 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 K284-5404 available by request