D090-0112 Screening compound: 2-{8-[4-(3-hydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate

D090-0112 Screening compound: 2-{8-[4-(3-hydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate
D090-0112 Screening compound: 2-{8-[4-(3-hydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0112
2-{8-[4-(3-hydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate

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

D090-0112

Molecular Formula

C26H36N6O8 (C26 H36 N6 O8)

Compound Name

2-{8-[4-(3-hydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate

IUPAC name

2-{8-[4-(3-hydroxypropyl)piperazin-1-yl]-37-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-1-yl}ethyl 345-trimethoxybenzoate

SMILES

Cn1c(N2CCN(CCCO)CC2)nc(N(C)C(N2CCOC(c(cc3OC)cc(OC)c3OC)=O)=O)c1C2=O

InChI

InChI=1S/C26H36N6O8/c1-28-20-22(27-25(28)31-10-8-30(9-11-31)7-6-13-33)29(2)26(36)32(23(20)34)12-14-40-24(35)17-15-18(37-3)21(39-5)19(16-17)38-4/h15-16,33H,6-14H2,1-5H3

InChI Key

ZFACIJIDKWTGMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071672

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

560.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.139

Distribution Coefficient, logD

-0.649

Water Solubility, LogSw

-1.86

Polar Surface Area

111.192

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with D090-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0112?
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What is the minimum amount of D090-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0112
  • 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 D090-0112 available by request