D454-0531 Screening compound: ethyl N-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}carbamate

D454-0531 Screening compound: ethyl N-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}carbamate
D454-0531 Screening compound: ethyl N-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0531
ethyl N-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}carbamate

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

D454-0531

Molecular Formula

C19H19ClN4O2 (C19 H19 ClN4 O2)

Compound Name

ethyl N-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}carbamate

IUPAC name

ethyl N-(3-{5-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)carbamate

SMILES

CCOC(Nc1cccc(N2Cc3nc(cc(cc4)Cl)c4n3CC2)c1)=O

InChI

InChI=1S/C19H19ClN4O2/c1-2-26-19(25)21-14-4-3-5-15(11-14)23-8-9-24-17-7-6-13(20)10-16(17)22-18(24)12-23/h3-7,10-11H,2,8-9,12H2,1H3,(H,21,25)

InChI Key

VQZLCADMDQKYPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.37

Polar Surface Area

46.077

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D454-0531 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D454-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0531?
Check Price and Availability of D454-0531, 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 D454-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0531
  • 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 D454-0531 available by request