D466-0034 Screening compound: 8-chloro-2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

D466-0034 Screening compound: 8-chloro-2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
D466-0034 Screening compound: 8-chloro-2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0034
8-chloro-2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

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

D466-0034

Molecular Formula

C13H16ClN3 (C13 H16 ClN3)

Compound Name

8-chloro-2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

IUPAC name

5-chloro-11-(propan-2-yl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene

SMILES

CC(C)N1Cc2nc(cc(cc3)Cl)c3n2CC1

InChI

InChI=1S/C13H16ClN3/c1-9(2)16-5-6-17-12-4-3-10(14)7-11(12)15-13(17)8-16/h3-4,7,9H,5-6,8H2,1-2H3

InChI Key

OQXPTUNXGVNWJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.74

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.977

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-3.31

Polar Surface Area

15.237

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

D466-0034 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D466-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0034?
Check Price and Availability of D466-0034, 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 D466-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0034
  • 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 D466-0034 available by request