V028-5561 Screening compound: 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V028-5561 Screening compound: 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V028-5561 Screening compound: 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5561
1-(2-methoxyethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-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

V028-5561

Molecular Formula

C22H21N5O6 (C22 H21 N5 O6)

Compound Name

1-(2-methoxyethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-(2-methoxyethyl)-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

COCCN(C(c1c(N2c3cc(OC)ccc3)ncn1Cc1cccc([N+]([O-])=O)c1)=O)C2=O

InChI

InChI=1S/C22H21N5O6/c1-32-10-9-25-21(28)19-20(26(22(25)29)16-6-4-8-18(12-16)33-2)23-14-24(19)13-15-5-3-7-17(11-15)27(30)31/h3-8,11-12,14H,9-10,13H2,1-2H3

InChI Key

GEAIQHLLCJTDTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920671

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.51

Polar Surface Area

91.792

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with V028-5561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5561?
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What is the minimum amount of V028-5561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5561
  • 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 V028-5561 available by request