K297-0498 Screening compound: 1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)ethan-1-one

K297-0498 Screening compound: 1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)ethan-1-one
K297-0498 Screening compound: 1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0498
1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)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

K297-0498

Molecular Formula

C26H25N3O3S (C26 H25 N3 O3 S)

Compound Name

1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)ethan-1-one

IUPAC name

1-(4-methoxy-3-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}phenyl)ethan-1-one

SMILES

CC(c(cc1)cc(CSc2nc3ccccc3c(NCc(cc3)ccc3OC)n2)c1OC)=O

InChI

InChI=1S/C26H25N3O3S/c1-17(30)19-10-13-24(32-3)20(14-19)16-33-26-28-23-7-5-4-6-22(23)25(29-26)27-15-18-8-11-21(31-2)12-9-18/h4-14H,15-16H2,1-3H3,(H,27,28,29)

InChI Key

ORBSULRTTHGNCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

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

5.263

Distribution Coefficient, logD

5.262

Water Solubility, LogSw

-5.34

Polar Surface Area

56.850

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K297-0498 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with K297-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0498?
Check Price and Availability of K297-0498, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K297-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0498
  • 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 K297-0498 available by request