K288-0686 Screening compound: 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0686 Screening compound: 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0686 Screening compound: 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0686
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-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

K288-0686

Molecular Formula

C27H25N3O2S (C27 H25 N3 O2 S)

Compound Name

3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c(cc1)ccc1N(C(c(cccc1)c1N1)=O)C1=S)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C27H25N3O2S/c31-25(29-16-14-20(15-17-29)18-19-6-2-1-3-7-19)21-10-12-22(13-11-21)30-26(32)23-8-4-5-9-24(23)28-27(30)33/h1-13,20H,14-18H2,(H,28,33)

InChI Key

RZOZJLFVPAPUAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.745

Water Solubility, LogSw

-4.80

Polar Surface Area

43.083

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K288-0686 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 K288-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0686?
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What is the minimum amount of K288-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0686
  • 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 K288-0686 available by request