K297-0244 Screening compound: 2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

K297-0244 Screening compound: 2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one
K297-0244 Screening compound: 2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0244
2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]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

K297-0244

Molecular Formula

C25H31N5O2S (C25 H31 N5 O2 S)

Compound Name

2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

SMILES

CCCCNc1nc(SCC(N(CC2)CCN2c(cccc2)c2OC)=O)nc2ccccc12

InChI

InChI=1S/C25H31N5O2S/c1-3-4-13-26-24-19-9-5-6-10-20(19)27-25(28-24)33-18-23(31)30-16-14-29(15-17-30)21-11-7-8-12-22(21)32-2/h5-12H,3-4,13-18H2,1-2H3,(H,26,27,28)

InChI Key

WBICCBPJTQDEGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.133

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.09

Polar Surface Area

54.945

Acid Dissociation Constant (pKa)

17.90

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K297-0244 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 K297-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0244?
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What is the minimum amount of K297-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0244
  • 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 K297-0244 available by request