K289-0212 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazolin-4-one

K289-0212 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazolin-4-one
K289-0212 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0212
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazolin-4-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

K289-0212

Molecular Formula

C21H19BrN2O3S (C21 H19 BrN2 O3 S)

Compound Name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-34-dihydroquinazolin-4-one

SMILES

O=C(CSC(N1CC2OCCC2)=Nc(cccc2)c2C1=O)c(cc1)ccc1Br

InChI

InChI=1S/C21H19BrN2O3S/c22-15-9-7-14(8-10-15)19(25)13-28-21-23-18-6-2-1-5-17(18)20(26)24(21)12-16-4-3-11-27-16/h1-2,5-10,16H,3-4,11-13H2/t16-/m1/s1

InChI Key

PLKALCSOLNUNPO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02651713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-3.95

Polar Surface Area

47.672

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

K289-0212 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K289-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0212?
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What is the minimum amount of K289-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0212
  • 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 K289-0212 available by request