K284-5230 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide

K284-5230 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide
K284-5230 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5230
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide

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

K284-5230

Molecular Formula

C26H30FN5O4S (C26 H30 FN5 O4 S)

Compound Name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide

IUPAC name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{8-oxo-6-sulfanylidene-2H5H6H7H8H-[13]dioxolo[45-g]quinazolin-7-yl}butanamide

SMILES

O=C(CCCN(C(c(cc1OCOc1c1)c1N1)=O)C1=S)NCCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C26H30FN5O4S/c27-19-5-1-2-6-21(19)31-13-11-30(12-14-31)9-4-8-28-24(33)7-3-10-32-25(34)18-15-22-23(36-17-35-22)16-20(18)29-26(32)37/h1-2,5-6,15-16H,3-4,7-14,17H2,(H,28,33)(H,29,37)

InChI Key

QJTOOLAMYJGTAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

1.856

Water Solubility, LogSw

-3.15

Polar Surface Area

75.667

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

K284-5230 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K284-5230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5230?
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What is the minimum amount of K284-5230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5230
  • 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 K284-5230 available by request