K288-0063 Screening compound: 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0063 Screening compound: 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0063 Screening compound: 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0063
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-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

K288-0063

Molecular Formula

C16H20N4O2S (C16 H20 N4 O2 S)

Compound Name

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

CCN(CC1)CCN1C(CN(C(c(cccc1)c1N1)=O)C1=S)=O

InChI

InChI=1S/C16H20N4O2S/c1-2-18-7-9-19(10-8-18)14(21)11-20-15(22)12-5-3-4-6-13(12)17-16(20)23/h3-6H,2,7-11H2,1H3,(H,17,23)

InChI Key

JTJZYPOTDXYXSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

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

0.956

Distribution Coefficient, logD

0.780

Water Solubility, LogSw

-2.47

Polar Surface Area

47.247

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

K288-0063 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K288-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0063?
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What is the minimum amount of K288-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0063
  • 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 K288-0063 available by request