K284-0504 Screening compound: 6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]hexanoic acid

K284-0504 Screening compound: 6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]hexanoic acid
K284-0504 Screening compound: 6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0504
6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]hexanoic acid

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

K284-0504

Molecular Formula

C16H18N2O5S (C16 H18 N2 O5 S)

Compound Name

6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]hexanoic acid

IUPAC name

6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl]hexanoic acid

SMILES

COC(c(cc1)cc(NC(N2CCCCCC(O)=O)=S)c1C2=O)=O

InChI

InChI=1S/C16H18N2O5S/c1-23-15(22)10-6-7-11-12(9-10)17-16(24)18(14(11)21)8-4-2-3-5-13(19)20/h6-7,9H,2-5,8H2,1H3,(H,17,24)(H,19,20)

InChI Key

XMPLMDFRCFNLJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08541157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

-0.665

Water Solubility, LogSw

-3.01

Polar Surface Area

77.126

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-9.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K284-0504 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K284-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0504?
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What is the minimum amount of K284-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0504
  • 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 K284-0504 available by request