4606-1794 Screening compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

4606-1794 Screening compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
4606-1794 Screening compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-1794
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)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

4606-1794

Molecular Formula

C20H26N6O6S (C20 H26 N6 O6 S)

Compound Name

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

IUPAC name

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamide

SMILES

CCN(CC)S(c(cc1)cc(NC(Cn2c(C(N(C)C(N3C)=O)=O)c3nc2)=O)c1OC)(=O)=O

InChI

InChI=1S/C20H26N6O6S/c1-6-26(7-2)33(30,31)13-8-9-15(32-5)14(10-13)22-16(27)11-25-12-21-18-17(25)19(28)24(4)20(29)23(18)3/h8-10,12H,6-7,11H2,1-5H3,(H,22,27)

InChI Key

YMAGYUDYVGAVCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.659

Distribution Coefficient, logD

0.653

Water Solubility, LogSw

-2.58

Polar Surface Area

104.139

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4606-1794 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4606-1794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-1794?
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What is the minimum amount of 4606-1794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-1794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-1794
  • 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 4606-1794 available by request