K297-0785 Screening compound: 1-(3-{[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one

K297-0785 Screening compound: 1-(3-{[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
K297-0785 Screening compound: 1-(3-{[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0785
1-(3-{[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)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

K297-0785

Molecular Formula

C26H23N3O4S (C26 H23 N3 O4 S)

Compound Name

1-(3-{[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one

IUPAC name

1-(3-{[(4-{[(2H-13-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one

SMILES

CC(c(cc1)cc(CSc2nc3ccccc3c(NCc(cc3)cc4c3OCO4)n2)c1OC)=O

InChI

InChI=1S/C26H23N3O4S/c1-16(30)18-8-10-22(31-2)19(12-18)14-34-26-28-21-6-4-3-5-20(21)25(29-26)27-13-17-7-9-23-24(11-17)33-15-32-23/h3-12H,13-15H2,1-2H3,(H,27,28,29)

InChI Key

QNYZTZRJZOTEPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.194

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-5.25

Polar Surface Area

66.422

Acid Dissociation Constant (pKa)

17.99

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K297-0785 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 K297-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0785?
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What is the minimum amount of K297-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0785
  • 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 K297-0785 available by request