8017-1295 Screening compound: 3-bromo-N~1~-[2-(2-furylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide

8017-1295 Screening compound: 3-bromo-N~1~-[2-(2-furylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide
8017-1295 Screening compound: 3-bromo-N~1~-[2-(2-furylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1295
3-bromo-N~1~-[2-(2-furylmethyl)-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

8017-1295

Molecular Formula

C22H19BrN4O2 (C22 H19 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(Br)c1)Nc(cc1)cc2c1n(CCN(Cc1ccco1)C1)c1n2

InChI

InChI=1S/C22H19BrN4O2/c23-16-4-1-3-15(11-16)22(28)24-17-6-7-20-19(12-17)25-21-14-26(8-9-27(20)21)13-18-5-2-10-29-18/h1-7,10-12H,8-9,13-14H2,(H,24,28)

InChI Key

CAIZQGFMTJPGEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.32

Polar Surface Area

45.754

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8017-1295 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-1295 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-1295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1295
  • 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 8017-1295 available by request