K284-3997 Screening compound: 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}benzamide

K284-3997 Screening compound: 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}benzamide
K284-3997 Screening compound: 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-3997
4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}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

K284-3997

Molecular Formula

C30H32BrN5O3S (C30 H32 BrN5 O3 S)

Compound Name

4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}benzamide

IUPAC name

4-[(6-bromo-4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}benzamide

SMILES

COc(cc1)ccc1N1CCN(CCCNC(c2ccc(CN(C(c(cc(cc3)Br)c3N3)=O)C3=S)cc2)=O)CC1

InChI

InChI=1S/C30H32BrN5O3S/c1-39-25-10-8-24(9-11-25)35-17-15-34(16-18-35)14-2-13-32-28(37)22-5-3-21(4-6-22)20-36-29(38)26-19-23(31)7-12-27(26)33-30(36)40/h3-12,19H,2,13-18,20H2,1H3,(H,32,37)(H,33,40)

InChI Key

SXSDZMFKVNRALK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.45

Polar Surface Area

66.359

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with K284-3997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-3997?
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What is the minimum amount of K284-3997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-3997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-3997
  • 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 K284-3997 available by request