C692-0297 Screening compound: ethyl 4-({7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate

C692-0297 Screening compound: ethyl 4-({7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
C692-0297 Screening compound: ethyl 4-({7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0297
ethyl 4-({7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate

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

C692-0297

Molecular Formula

C23H30N6O4 (C23 H30 N6 O4)

Compound Name

ethyl 4-({7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-({7-[(25-dimethylphenyl)methyl]-3-methyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(N(C)C(NC3=O)=O)c3n2Cc2c(C)ccc(C)c2)CC1)=O

InChI

InChI=1S/C23H30N6O4/c1-5-33-23(32)28-10-8-27(9-11-28)14-18-24-20-19(21(30)25-22(31)26(20)4)29(18)13-17-12-15(2)6-7-16(17)3/h6-7,12H,5,8-11,13-14H2,1-4H3,(H,25,30,31)

InChI Key

DCBCJGMHAWDYLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-2.98

Polar Surface Area

79.107

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

C692-0297 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C692-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0297?
Check Price and Availability of C692-0297, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C692-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0297
  • 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 C692-0297 available by request