8131-1508 Screening compound: benzyl 2-[9-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

8131-1508 Screening compound: benzyl 2-[9-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
8131-1508 Screening compound: benzyl 2-[9-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8131-1508
benzyl 2-[9-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

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

8131-1508

Molecular Formula

C26H27N5O5 (C26 H27 N5 O5)

Compound Name

benzyl 2-[9-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

IUPAC name

benzyl 2-[9-(4-ethoxyphenyl)-1-methyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetate

SMILES

CCOc(cc1)ccc1N1c2nc(N(C)C(N(CC(OCc3ccccc3)=O)C3=O)=O)c3n2CCC1

InChI

InChI=1S/C26H27N5O5/c1-3-35-20-12-10-19(11-13-20)29-14-7-15-30-22-23(27-25(29)30)28(2)26(34)31(24(22)33)16-21(32)36-17-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-17H2,1-2H3

InChI Key

MBPUJPQLUBURKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04176706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.022

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.06

Polar Surface Area

72.441

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8131-1508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8131-1508?
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What is the minimum amount of 8131-1508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8131-1508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8131-1508
  • 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 8131-1508 available by request