7282-5400 Screening compound: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-{[(oxolan-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5400 Screening compound: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-{[(oxolan-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5400 Screening compound: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-{[(oxolan-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5400
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-{[(oxolan-2-yl)methyl]amino}-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

7282-5400

Molecular Formula

C19H22BrN5O3 (C19 H22 BrN5 O3)

Compound Name

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

IUPAC name

7-[(4-bromophenyl)methyl]-13-dimethyl-8-{[(oxolan-2-yl)methyl]amino}-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(cc3)ccc3Br)c(NCC3OCCC3)n1)C2=O

InChI

InChI=1S/C19H22BrN5O3/c1-23-16-15(17(26)24(2)19(23)27)25(11-12-5-7-13(20)8-6-12)18(22-16)21-10-14-4-3-9-28-14/h5-8,14H,3-4,9-11H2,1-2H3,(H,21,22)/t14-/m1/s1

InChI Key

GVVZLRBKVMWAAI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02086944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.278

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.39

Polar Surface Area

63.501

Acid Dissociation Constant (pKa)

19.18

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

7282-5400 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7282-5400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5400?
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What is the minimum amount of 7282-5400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5400
  • 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 7282-5400 available by request