K284-4022 Screening compound: 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

K284-4022 Screening compound: 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
K284-4022 Screening compound: 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4022
4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

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

K284-4022

Molecular Formula

C26H24BrN3O4S (C26 H24 BrN3 O4 S)

Compound Name

4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

IUPAC name

4-[(6-bromo-4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)methyl]-N-[2-(34-dimethoxyphenyl)ethyl]benzamide

SMILES

COc(ccc(CCNC(c1ccc(CN(C(c(cc(cc2)Br)c2N2)=O)C2=S)cc1)=O)c1)c1OC

InChI

InChI=1S/C26H24BrN3O4S/c1-33-22-10-5-16(13-23(22)34-2)11-12-28-24(31)18-6-3-17(4-7-18)15-30-25(32)20-14-19(27)8-9-21(20)29-26(30)35/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,31)(H,29,35)

InChI Key

KBKIMBIHWIFOSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.225

Water Solubility, LogSw

-4.33

Polar Surface Area

66.834

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K284-4022 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 K284-4022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4022?
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What is the minimum amount of K284-4022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4022
  • 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 K284-4022 available by request