3136-1397 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

3136-1397 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
3136-1397 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-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 3136-1397
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

3136-1397

Molecular Formula

C19H23N5O5 (C19 H23 N5 O5)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamide

SMILES

CN(c1c(C(N2C)=O)n(CC(NCCc(cc3)cc(OC)c3OC)=O)cn1)C2=O

InChI

InChI=1S/C19H23N5O5/c1-22-17-16(18(26)23(2)19(22)27)24(11-21-17)10-15(25)20-8-7-12-5-6-13(28-3)14(9-12)29-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,25)

InChI Key

IFIAPTKSZFNHGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02007073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.124

Distribution Coefficient, logD

-0.124

Water Solubility, LogSw

-2.07

Polar Surface Area

82.534

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3136-1397 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 3136-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3136-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3136-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3136-1397
  • 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 3136-1397 available by request