D073-0052 Screening compound: 4-fluoro-N~1~-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide

D073-0052 Screening compound: 4-fluoro-N~1~-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide
D073-0052 Screening compound: 4-fluoro-N~1~-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0052
4-fluoro-N~1~-[2-(1-phenylethyl)-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

D073-0052

Molecular Formula

C25H23FN4O (C25 H23 FN4 O)

Compound Name

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

IUPAC name

4-fluoro-N-[11-(1-phenylethyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl]benzamide

SMILES

CC(c1ccccc1)N1Cc2nc(cc(cc3)NC(c(cc4)ccc4F)=O)c3n2CC1

InChI

InChI=1S/C25H23FN4O/c1-17(18-5-3-2-4-6-18)29-13-14-30-23-12-11-21(15-22(23)28-24(30)16-29)27-25(31)19-7-9-20(26)10-8-19/h2-12,15,17H,13-14,16H2,1H3,(H,27,31)/t17-/m0/s1

InChI Key

TZERBKSHEIJEJO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06611103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.28

Polar Surface Area

37.677

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D073-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0052?
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What is the minimum amount of D073-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0052
  • 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 D073-0052 available by request