K288-0794 Screening compound: 7-(4-benzylpiperidine-1-carbonyl)-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0794 Screening compound: 7-(4-benzylpiperidine-1-carbonyl)-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0794 Screening compound: 7-(4-benzylpiperidine-1-carbonyl)-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0794
7-(4-benzylpiperidine-1-carbonyl)-3-[2-(diethylamino)ethyl]-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

K288-0794

Molecular Formula

C27H34N4O2S (C27 H34 N4 O2 S)

Compound Name

7-(4-benzylpiperidine-1-carbonyl)-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

7-(4-benzylpiperidine-1-carbonyl)-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

CCN(CC)CCN(C(c(ccc(C(N1CCC(Cc2ccccc2)CC1)=O)c1)c1N1)=O)C1=S

InChI

InChI=1S/C27H34N4O2S/c1-3-29(4-2)16-17-31-26(33)23-11-10-22(19-24(23)28-27(31)34)25(32)30-14-12-21(13-15-30)18-20-8-6-5-7-9-20/h5-11,19,21H,3-4,12-18H2,1-2H3,(H,28,34)

InChI Key

NVVLGFFFZUWOGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.491

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-4.21

Polar Surface Area

47.356

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

K288-0794 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K288-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0794?
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What is the minimum amount of K288-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0794
  • 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 K288-0794 available by request