K289-0338 Screening compound: 2-{[(2,5-difluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

K289-0338 Screening compound: 2-{[(2,5-difluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
K289-0338 Screening compound: 2-{[(2,5-difluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0338
2-{[(2,5-difluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-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

K289-0338

Molecular Formula

C26H25F2N3O3S (C26 H25 F2 N3 O3 S)

Compound Name

2-{[(2,5-difluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(25-difluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-34-dihydroquinazoline-7-carboxamide

SMILES

CCCCCN1C(SCc(cc(cc2)F)c2F)=Nc(cc(cc2)C(NCc3ccco3)=O)c2C1=O

InChI

InChI=1S/C26H25F2N3O3S/c1-2-3-4-11-31-25(33)21-9-7-17(24(32)29-15-20-6-5-12-34-20)14-23(21)30-26(31)35-16-18-13-19(27)8-10-22(18)28/h5-10,12-14H,2-4,11,15-16H2,1H3,(H,29,32)

InChI Key

MFJARZKEKJLPTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.138

Distribution Coefficient, logD

6.138

Water Solubility, LogSw

-5.29

Polar Surface Area

58.183

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K289-0338 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 K289-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0338?
Check Price and Availability of K289-0338, 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 K289-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0338
  • 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 K289-0338 available by request