6218-0032 Screening compound: 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide

6218-0032 Screening compound: 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
6218-0032 Screening compound: 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6218-0032
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)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

6218-0032

Molecular Formula

C19H19N5O4S2 (C19 H19 N5 O4 S2)

Compound Name

2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide

IUPAC name

2-{[6-amino-1-(3-methylphenyl)-4-oxo-14-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide

SMILES

Cc1cccc(N(C(N)=C2)C(SCC(Nc(cc3)ccc3S(N)(=O)=O)=O)=NC2=O)c1

InChI

InChI=1S/C19H19N5O4S2/c1-12-3-2-4-14(9-12)24-16(20)10-17(25)23-19(24)29-11-18(26)22-13-5-7-15(8-6-13)30(21,27)28/h2-10H,11,20H2,1H3,(H,22,26)(H2,21,27,28)

InChI Key

LQHRASVRSMVVPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02873821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.855

Distribution Coefficient, logD

0.854

Water Solubility, LogSw

-2.24

Polar Surface Area

117.954

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 6218-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6218-0032?
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What is the minimum amount of 6218-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6218-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6218-0032
  • 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 6218-0032 available by request