5628-0671 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(dipropylsulfamoyl)phenyl]acetamide

5628-0671 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(dipropylsulfamoyl)phenyl]acetamide
5628-0671 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(dipropylsulfamoyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-0671
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(dipropylsulfamoyl)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

5628-0671

Molecular Formula

C21H28N6O5S (C21 H28 N6 O5 S)

Compound Name

2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(dipropylsulfamoyl)phenyl]acetamide

IUPAC name

2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)-N-[4-(dipropylsulfamoyl)phenyl]acetamide

SMILES

CCCN(CCC)S(c(cc1)ccc1NC(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1)=O)(=O)=O

InChI

InChI=1S/C21H28N6O5S/c1-5-11-27(12-6-2)33(31,32)16-9-7-15(8-10-16)23-17(28)13-26-14-22-19-18(26)20(29)25(4)21(30)24(19)3/h7-10,14H,5-6,11-13H2,1-4H3,(H,23,28)

InChI Key

AFFMXQHHAQCGDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03616239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.088

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-2.95

Polar Surface Area

97.714

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

5628-0671 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5628-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-0671?
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What is the minimum amount of 5628-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-0671
  • 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 5628-0671 available by request