K297-0182 Screening compound: 1-(4-methylpiperidin-1-yl)-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

K297-0182 Screening compound: 1-(4-methylpiperidin-1-yl)-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one
K297-0182 Screening compound: 1-(4-methylpiperidin-1-yl)-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0182
1-(4-methylpiperidin-1-yl)-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-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

K297-0182

Molecular Formula

C24H28N4OS (C24 H28 N4 OS)

Compound Name

1-(4-methylpiperidin-1-yl)-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

IUPAC name

1-(4-methylpiperidin-1-yl)-2-({4-[(2-phenylethyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

SMILES

CC(CC1)CCN1C(CSc1nc2ccccc2c(NCCc2ccccc2)n1)=O

InChI

InChI=1S/C24H28N4OS/c1-18-12-15-28(16-13-18)22(29)17-30-24-26-21-10-6-5-9-20(21)23(27-24)25-14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,25,26,27)

InChI Key

VHCGHSQIWWBOHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.948

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.71

Polar Surface Area

44.083

Acid Dissociation Constant (pKa)

17.86

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K297-0182 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 K297-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0182?
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What is the minimum amount of K297-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0182
  • 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 K297-0182 available by request