K288-0506 Screening compound: 3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0506 Screening compound: 3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0506 Screening compound: 3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0506
3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-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

K288-0506

Molecular Formula

C22H22ClN3O2S (C22 H22 ClN3 O2 S)

Compound Name

3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

CC(CCC1)CN1C(c(cc1)cc(NC(N2Cc(cc3)ccc3Cl)=S)c1C2=O)=O

InChI

InChI=1S/C22H22ClN3O2S/c1-14-3-2-10-25(12-14)20(27)16-6-9-18-19(11-16)24-22(29)26(21(18)28)13-15-4-7-17(23)8-5-15/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,24,29)/t14-/m0/s1

InChI Key

AAPNZGSYXPPZHU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15091263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

4.337

Water Solubility, LogSw

-4.56

Polar Surface Area

43.900

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with K288-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0506?
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What is the minimum amount of K288-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0506
  • 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 K288-0506 available by request