D454-0070 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-1-cyclohexanecarboxamide

D454-0070 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-1-cyclohexanecarboxamide
D454-0070 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0070
N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-1-cyclohexanecarboxamide

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

D454-0070

Molecular Formula

C23H26N4O (C23 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)Nc1cc(N2Cc3nc(cccc4)c4n3CC2)ccc1

InChI

InChI=1S/C23H26N4O/c28-23(17-7-2-1-3-8-17)24-18-9-6-10-19(15-18)26-13-14-27-21-12-5-4-11-20(21)25-22(27)16-26/h4-6,9-12,15,17H,1-3,7-8,13-14,16H2,(H,24,28)

InChI Key

NBYCQXLWIYHWFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.49

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

4.515

Distribution Coefficient, logD

4.515

Water Solubility, LogSw

-4.27

Polar Surface Area

37.917

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D454-0070 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D454-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0070?
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What is the minimum amount of D454-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0070
  • 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 D454-0070 available by request