D073-0063 Screening compound: N-cyclohexyl-N'-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea

D073-0063 Screening compound: N-cyclohexyl-N'-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea
D073-0063 Screening compound: N-cyclohexyl-N'-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0063
N-cyclohexyl-N'-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea

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

D073-0063

Molecular Formula

C25H31N5O (C25 H31 N5 O)

Compound Name

N-cyclohexyl-N'-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea

IUPAC name

1-cyclohexyl-3-[11-(1-phenylethyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl]urea

SMILES

CC(c1ccccc1)N1Cc2nc(cc(cc3)NC(NC4CCCCC4)=O)c3n2CC1

InChI

InChI=1S/C25H31N5O/c1-18(19-8-4-2-5-9-19)29-14-15-30-23-13-12-21(16-22(23)28-24(30)17-29)27-25(31)26-20-10-6-3-7-11-20/h2,4-5,8-9,12-13,16,18,20H,3,6-7,10-11,14-15,17H2,1H3,(H2,26,27,31)/t18-/m0/s1

InChI Key

ACHMGWNIZPALEQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06002293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.833

Distribution Coefficient, logD

4.829

Water Solubility, LogSw

-4.48

Polar Surface Area

47.936

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

D073-0063 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D073-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0063?
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What is the minimum amount of D073-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0063
  • 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 D073-0063 available by request