8563-1063 Screening compound: N-[4-({5-[(furan-2-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}sulfamoyl)phenyl]acetamide

8563-1063 Screening compound: N-[4-({5-[(furan-2-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}sulfamoyl)phenyl]acetamide
8563-1063 Screening compound: N-[4-({5-[(furan-2-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}sulfamoyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-1063
N-[4-({5-[(furan-2-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}sulfamoyl)phenyl]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

8563-1063

Molecular Formula

C16H19N5O4S (C16 H19 N5 O4 S)

Compound Name

N-[4-({5-[(furan-2-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}sulfamoyl)phenyl]acetamide

IUPAC name

N-[4-({5-[(furan-2-yl)methyl]-1456-tetrahydro-135-triazin-2-yl}sulfamoyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1S(NC1=NCN(Cc2ccco2)CN1)(=O)=O)=O

InChI

InChI=1S/C16H19N5O4S/c1-12(22)19-13-4-6-15(7-5-13)26(23,24)20-16-17-10-21(11-18-16)9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,19,22)(H2,17,18,20)

InChI Key

JSPHHBWZWRMUAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08088848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.999

Distribution Coefficient, logD

0.999

Water Solubility, LogSw

-2.37

Polar Surface Area

95.792

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8563-1063 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 8563-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-1063?
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What is the minimum amount of 8563-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-1063
  • 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 8563-1063 available by request