4130-5310 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N,N-dipropylacetamide

4130-5310 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N,N-dipropylacetamide
4130-5310 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5310
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N,N-dipropylacetamide

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

4130-5310

Molecular Formula

C15H23N5O3 (C15 H23 N5 O3)

Compound Name

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

IUPAC name

2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)-NN-dipropylacetamide

SMILES

CCCN(CCC)C(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1)=O

InChI

InChI=1S/C15H23N5O3/c1-5-7-19(8-6-2)11(21)9-20-10-16-13-12(20)14(22)18(4)15(23)17(13)3/h10H,5-9H2,1-4H3

InChI Key

XXUIJNWREZALIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.723

Distribution Coefficient, logD

0.723

Water Solubility, LogSw

-0.89

Polar Surface Area

59.144

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

4130-5310 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4130-5310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5310?
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What is the minimum amount of 4130-5310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5310
  • 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 4130-5310 available by request