K284-5171 Screening compound: N-[(4-chlorophenyl)methyl]-6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide

K284-5171 Screening compound: N-[(4-chlorophenyl)methyl]-6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide
K284-5171 Screening compound: N-[(4-chlorophenyl)methyl]-6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5171
N-[(4-chlorophenyl)methyl]-6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide

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

K284-5171

Molecular Formula

C22H22ClN3O4S (C22 H22 ClN3 O4 S)

Compound Name

N-[(4-chlorophenyl)methyl]-6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-6-{8-oxo-6-sulfanylidene-2H5H6H7H8H-[13]dioxolo[45-g]quinazolin-7-yl}hexanamide

SMILES

O=C(CCCCCN(C(c(cc1OCOc1c1)c1N1)=O)C1=S)NCc(cc1)ccc1Cl

InChI

InChI=1S/C22H22ClN3O4S/c23-15-7-5-14(6-8-15)12-24-20(27)4-2-1-3-9-26-21(28)16-10-18-19(30-13-29-18)11-17(16)25-22(26)31/h5-8,10-11H,1-4,9,12-13H2,(H,24,27)(H,25,31)

InChI Key

FSPSLYSZQMGIFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08541266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.846

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-4.45

Polar Surface Area

68.883

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with K284-5171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5171?
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What is the minimum amount of K284-5171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5171
  • 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 K284-5171 available by request