D044-0064 Screening compound: 3-bromo-N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide

D044-0064 Screening compound: 3-bromo-N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide
D044-0064 Screening compound: 3-bromo-N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0064
3-bromo-N~1~-[2-(2-methoxyethyl)-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

D044-0064

Molecular Formula

C20H21BrN4O2 (C20 H21 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COCCN1Cc2nc(cc(cc3)NC(c4cccc(Br)c4)=O)c3n2CC1

InChI

InChI=1S/C20H21BrN4O2/c1-27-10-9-24-7-8-25-18-6-5-16(12-17(18)23-19(25)13-24)22-20(26)14-3-2-4-15(21)11-14/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)

InChI Key

SGHPWNZVIVHNOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.53

Polar Surface Area

46.597

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with D044-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0064?
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What is the minimum amount of D044-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0064
  • 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 D044-0064 available by request