D044-0034 Screening compound: 2-chloro-N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)benzamide

D044-0034 Screening compound: 2-chloro-N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)benzamide
D044-0034 Screening compound: 2-chloro-N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0034
2-chloro-N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)benzamide

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

D044-0034

Molecular Formula

C23H25ClN4O (C23 H25 ClN4 O)

Compound Name

2-chloro-N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)benzamide

IUPAC name

2-chloro-N-{11-cyclohexyl-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}benzamide

SMILES

O=C(c(cccc1)c1Cl)Nc(cc1)cc2c1n(CCN(C1)C3CCCCC3)c1n2

InChI

InChI=1S/C23H25ClN4O/c24-19-9-5-4-8-18(19)23(29)25-16-10-11-21-20(14-16)26-22-15-27(12-13-28(21)22)17-6-2-1-3-7-17/h4-5,8-11,14,17H,1-3,6-7,12-13,15H2,(H,25,29)

InChI Key

QPEGYIVVKWCUBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.688

Water Solubility, LogSw

-4.87

Polar Surface Area

37.558

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D044-0034 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 D044-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0034?
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What is the minimum amount of D044-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0034
  • 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 D044-0034 available by request