8255-0999 Screening compound: 3-benzyl-10-(4-ethoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione

8255-0999 Screening compound: 3-benzyl-10-(4-ethoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione
8255-0999 Screening compound: 3-benzyl-10-(4-ethoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8255-0999
3-benzyl-10-(4-ethoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-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

8255-0999

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

3-benzyl-10-(4-ethoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione

IUPAC name

3-benzyl-10-(4-ethoxyphenyl)-1-methyl-1H2H3H4H6H7H8H9H10H-[13]diazepino[12-g]purine-24-dione

SMILES

CCOc(cc1)ccc1N1c2nc(N(C)C(N(Cc3ccccc3)C3=O)=O)c3n2CCCC1

InChI

InChI=1S/C25H27N5O3/c1-3-33-20-13-11-19(12-14-20)28-15-7-8-16-29-21-22(26-24(28)29)27(2)25(32)30(23(21)31)17-18-9-5-4-6-10-18/h4-6,9-14H,3,7-8,15-17H2,1-2H3

InChI Key

LVJLUGRBBNHBHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08048238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.20

Polar Surface Area

52.237

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 8255-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8255-0999?
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What is the minimum amount of 8255-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8255-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8255-0999
  • 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 8255-0999 available by request