3455-3288 Screening compound: N-(4-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

3455-3288 Screening compound: N-(4-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
3455-3288 Screening compound: N-(4-chlorophenyl)-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 3455-3288
N-(4-chlorophenyl)-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

3455-3288

Molecular Formula

C15H14ClN5O3 (C15 H14 ClN5 O3)

Compound Name

N-(4-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

IUPAC name

N-(4-chlorophenyl)-2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamide

SMILES

CN(c1c(C(N2C)=O)n(CC(Nc(cc3)ccc3Cl)=O)cn1)C2=O

InChI

InChI=1S/C15H14ClN5O3/c1-19-13-12(14(23)20(2)15(19)24)21(8-17-13)7-11(22)18-10-5-3-9(16)4-6-10/h3-6,8H,7H2,1-2H3,(H,18,22)

InChI Key

XDGVDFHZMVKYMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.601

Distribution Coefficient, logD

1.601

Water Solubility, LogSw

-2.62

Polar Surface Area

66.110

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3455-3288 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3455-3288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-3288?
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What is the minimum amount of 3455-3288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-3288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-3288
  • 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 3455-3288 available by request