D454-0071 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-4-fluorobenzamide

D454-0071 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-4-fluorobenzamide
D454-0071 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0071
N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-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

D454-0071

Molecular Formula

C23H19FN4O (C23 H19 FN4 O)

Compound Name

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

IUPAC name

4-fluoro-N-(3-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)benzamide

SMILES

O=C(c(cc1)ccc1F)Nc1cc(N2Cc3nc(cccc4)c4n3CC2)ccc1

InChI

InChI=1S/C23H19FN4O/c24-17-10-8-16(9-11-17)23(29)25-18-4-3-5-19(14-18)27-12-13-28-21-7-2-1-6-20(21)26-22(28)15-27/h1-11,14H,12-13,15H2,(H,25,29)

InChI Key

YJZKDTBSCNGKGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

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

4.440

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.43

Polar Surface Area

37.725

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with D454-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0071?
Check Price and Availability of D454-0071, 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 D454-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0071
  • 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 D454-0071 available by request