3238-0425 Screening compound: 7-[(3-bromophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3238-0425 Screening compound: 7-[(3-bromophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3238-0425 Screening compound: 7-[(3-bromophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3238-0425
7-[(3-bromophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

3238-0425

Molecular Formula

C24H26BrN5O4 (C24 H26 BrN5 O4)

Compound Name

7-[(3-bromophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(3-bromophenyl)methyl]-8-{[2-(34-dimethoxyphenyl)ethyl]amino}-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc3cccc(Br)c3)c(NCCc(cc3)cc(OC)c3OC)n1)C2=O

InChI

InChI=1S/C24H26BrN5O4/c1-28-21-20(22(31)29(2)24(28)32)30(14-16-6-5-7-17(25)12-16)23(27-21)26-11-10-15-8-9-18(33-3)19(13-15)34-4/h5-9,12-13H,10-11,14H2,1-4H3,(H,26,27)

InChI Key

IPVKAKNLJYZLBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05819671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.963

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.18

Polar Surface Area

69.949

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

3238-0425 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3238-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3238-0425?
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What is the minimum amount of 3238-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3238-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3238-0425
  • 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 3238-0425 available by request