K284-3993 Screening compound: 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

K284-3993 Screening compound: 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
K284-3993 Screening compound: 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-3993
4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)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

K284-3993

Molecular Formula

C22H23BrN4O2S (C22 H23 BrN4 O2 S)

Compound Name

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

IUPAC name

4-[(6-bromo-4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

SMILES

O=C(c1ccc(CN(C(c(cc(cc2)Br)c2N2)=O)C2=S)cc1)NCCN1CCCC1

InChI

InChI=1S/C22H23BrN4O2S/c23-17-7-8-19-18(13-17)21(29)27(22(30)25-19)14-15-3-5-16(6-4-15)20(28)24-9-12-26-10-1-2-11-26/h3-8,13H,1-2,9-12,14H2,(H,24,28)(H,25,30)

InChI Key

UNXDAPGZPFBNLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.611

Distribution Coefficient, logD

2.203

Water Solubility, LogSw

-3.84

Polar Surface Area

55.921

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

K284-3993 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K284-3993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-3993?
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What is the minimum amount of K284-3993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-3993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-3993
  • 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 K284-3993 available by request