D466-0038 Screening compound: 2-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-1-ethanol

D466-0038 Screening compound: 2-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-1-ethanol
D466-0038 Screening compound: 2-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0038
2-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-1-ethanol

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

D466-0038

Molecular Formula

C12H14ClN3O (C12 H14 ClN3 O)

Compound Name

2-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-1-ethanol

IUPAC name

2-{5-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-11-yl}ethan-1-ol

SMILES

OCCN1Cc2nc(cc(cc3)Cl)c3n2CC1

InChI

InChI=1S/C12H14ClN3O/c13-9-1-2-11-10(7-9)14-12-8-15(5-6-17)3-4-16(11)12/h1-2,7,17H,3-6,8H2

InChI Key

CSYURYTUPCRHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.692

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-1.89

Polar Surface Area

31.819

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D466-0038 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D466-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0038?
Check Price and Availability of D466-0038, 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 D466-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0038
  • 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 D466-0038 available by request