K289-0183 Screening compound: 2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide

K289-0183 Screening compound: 2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
K289-0183 Screening compound: 2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0183
2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide

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

K289-0183

Molecular Formula

C24H24FN3O3S (C24 H24 FN3 O3 S)

Compound Name

2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

C=CCN1C(SCc2cc(F)ccc2)=Nc(cc(cc2)C(NCC3OCCC3)=O)c2C1=O

InChI

InChI=1S/C24H24FN3O3S/c1-2-10-28-23(30)20-9-8-17(22(29)26-14-19-7-4-11-31-19)13-21(20)27-24(28)32-15-16-5-3-6-18(25)12-16/h2-3,5-6,8-9,12-13,19H,1,4,7,10-11,14-15H2,(H,26,29)/t19-/m1/s1

InChI Key

JEJYGFJEECXGCB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15091333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

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

3.142

Distribution Coefficient, logD

3.142

Water Solubility, LogSw

-3.62

Polar Surface Area

59.089

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

K289-0183 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 K289-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0183?
Check Price and Availability of K289-0183, 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 K289-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0183
  • 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 K289-0183 available by request