D090-0121 Screening compound: 2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate

D090-0121 Screening compound: 2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate
D090-0121 Screening compound: 2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0121
2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-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

D090-0121

Molecular Formula

C23H30N6O7 (C23 H30 N6 O7)

Compound Name

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

IUPAC name

2-[13-dimethyl-26-dioxo-8-(piperazin-1-yl)-2367-tetrahydro-1H-purin-7-yl]ethyl 345-trimethoxybenzoate

SMILES

CN(c1c(C(N2C)=O)n(CCOC(c(cc3OC)cc(OC)c3OC)=O)c(N3CCNCC3)n1)C2=O

InChI

InChI=1S/C23H30N6O7/c1-26-19-17(20(30)27(2)23(26)32)29(22(25-19)28-8-6-24-7-9-28)10-11-36-21(31)14-12-15(33-3)18(35-5)16(13-14)34-4/h12-13,24H,6-11H2,1-5H3

InChI Key

FJJDFWFMTJCZBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071765

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

502.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.659

Distribution Coefficient, logD

-0.811

Water Solubility, LogSw

-2.23

Polar Surface Area

101.662

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

D090-0121 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D090-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0121?
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What is the minimum amount of D090-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0121
  • 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 D090-0121 available by request