K297-0561 Screening compound: 2-{[4-(4-fluoroanilino)-2-quinazolinyl]sulfanyl}-N~1~-(3-methoxypropyl)acetamide

K297-0561 Screening compound: 2-{[4-(4-fluoroanilino)-2-quinazolinyl]sulfanyl}-N~1~-(3-methoxypropyl)acetamide
K297-0561 Screening compound: 2-{[4-(4-fluoroanilino)-2-quinazolinyl]sulfanyl}-N~1~-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0561
2-{[4-(4-fluoroanilino)-2-quinazolinyl]sulfanyl}-N~1~-(3-methoxypropyl)acetamide

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

K297-0561

Molecular Formula

C20H21FN4O2S (C20 H21 FN4 O2 S)

Compound Name

2-{[4-(4-fluoroanilino)-2-quinazolinyl]sulfanyl}-N~1~-(3-methoxypropyl)acetamide

IUPAC name

n/a

SMILES

COCCCNC(CSc1nc2ccccc2c(Nc(cc2)ccc2F)n1)=O

InChI

InChI=1S/C20H21FN4O2S/c1-27-12-4-11-22-18(26)13-28-20-24-17-6-3-2-5-16(17)19(25-20)23-15-9-7-14(21)8-10-15/h2-3,5-10H,4,11-13H2,1H3,(H,22,26)(H,23,24,25)

InChI Key

POSNWEXHPFBLEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.95

Polar Surface Area

59.454

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K297-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0561?
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What is the minimum amount of K297-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0561
  • 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 K297-0561 available by request