K297-0107 Screening compound: 2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one

K297-0107 Screening compound: 2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
K297-0107 Screening compound: 2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0107
2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)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

K297-0107

Molecular Formula

C23H18FN3OS (C23 H18 FN3 OS)

Compound Name

2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one

IUPAC name

2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one

SMILES

O=C(CSc1nc2ccccc2c(NCc2ccccc2)n1)c(cc1)ccc1F

InChI

InChI=1S/C23H18FN3OS/c24-18-12-10-17(11-13-18)21(28)15-29-23-26-20-9-5-4-8-19(20)22(27-23)25-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,26,27)

InChI Key

IYOIBMNYEQKLRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.66

Polar Surface Area

41.096

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

K297-0107 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 K297-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0107?
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What is the minimum amount of K297-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0107
  • 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 K297-0107 available by request