K284-1776 Screening compound: 7-(3-methylpiperidine-1-carbonyl)-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K284-1776 Screening compound: 7-(3-methylpiperidine-1-carbonyl)-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K284-1776 Screening compound: 7-(3-methylpiperidine-1-carbonyl)-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-1776
7-(3-methylpiperidine-1-carbonyl)-3-[(oxolan-2-yl)methyl]-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

K284-1776

Molecular Formula

C20H25N3O3S (C20 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCC1)CN1C(c(cc1)cc(NC(N2CC3OCCC3)=S)c1C2=O)=O

InChI

InChI=1S/C20H25N3O3S/c1-13-4-2-8-22(11-13)18(24)14-6-7-16-17(10-14)21-20(27)23(19(16)25)12-15-5-3-9-26-15/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3,(H,21,27)

InChI Key

KVPHJCCKNWYHFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-3.08

Polar Surface Area

52.554

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

K284-1776 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 K284-1776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-1776?
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What is the minimum amount of K284-1776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-1776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-1776
  • 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 K284-1776 available by request