D454-0522 Screening compound: N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-methoxybenzamide

D454-0522 Screening compound: N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-methoxybenzamide
D454-0522 Screening compound: N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0522
N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-methoxybenzamide

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

D454-0522

Molecular Formula

C24H21ClN4O2 (C24 H21 ClN4 O2)

Compound Name

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

IUPAC name

N-(3-{5-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc1cccc(N2Cc3nc(cc(cc4)Cl)c4n3CC2)c1)=O

InChI

InChI=1S/C24H21ClN4O2/c1-31-22-8-3-2-7-19(22)24(30)26-17-5-4-6-18(14-17)28-11-12-29-21-10-9-16(25)13-20(21)27-23(29)15-28/h2-10,13-14H,11-12,15H2,1H3,(H,26,30)

InChI Key

RTQNHRCVLSVTMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.91

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

4.880

Distribution Coefficient, logD

4.877

Water Solubility, LogSw

-4.90

Polar Surface Area

45.355

Acid Dissociation Constant (pKa)

9.70

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 D454-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0522?
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What is the minimum amount of D454-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0522
  • 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 D454-0522 available by request