K288-0445 Screening compound: 2-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

K288-0445 Screening compound: 2-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
K288-0445 Screening compound: 2-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0445
2-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

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

K288-0445

Molecular Formula

C18H18N4O4S2 (C18 H18 N4 O4 S2)

Compound Name

2-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

IUPAC name

2-(4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

SMILES

NS(c1ccc(CCNC(CN(C(c(cccc2)c2N2)=O)C2=S)=O)cc1)(=O)=O

InChI

InChI=1S/C18H18N4O4S2/c19-28(25,26)13-7-5-12(6-8-13)9-10-20-16(23)11-22-17(24)14-3-1-2-4-15(14)21-18(22)27/h1-8H,9-11H2,(H,20,23)(H,21,27)(H2,19,25,26)

InChI Key

FAADBSKHEXLWPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.578

Distribution Coefficient, logD

0.577

Water Solubility, LogSw

-2.36

Polar Surface Area

102.234

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K288-0445 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K288-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0445?
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What is the minimum amount of K288-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0445
  • 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 K288-0445 available by request