D454-0572 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-fluorobenzamide

D454-0572 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-fluorobenzamide
D454-0572 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0572
N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-fluorobenzamide

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

D454-0572

Molecular Formula

C24H20ClFN4O (C24 H20 ClFN4 O)

Compound Name

N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-fluorobenzamide

IUPAC name

N-(4-{5-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}-2-methylphenyl)-4-fluorobenzamide

SMILES

Cc(cc(cc1)N2Cc3nc(cc(cc4)Cl)c4n3CC2)c1NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C24H20ClFN4O/c1-15-12-19(7-8-20(15)28-24(31)16-2-5-18(26)6-3-16)29-10-11-30-22-9-4-17(25)13-21(22)27-23(30)14-29/h2-9,12-13H,10-11,14H2,1H3,(H,28,31)

InChI Key

LCZVCCJXBDFGLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.190

Distribution Coefficient, logD

5.188

Water Solubility, LogSw

-5.64

Polar Surface Area

37.027

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D454-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0572?
Check Price and Availability of D454-0572, 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 D454-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0572
  • 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 D454-0572 available by request