C607-0647 Screening compound: 2-[(2-methyl-5-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

C607-0647 Screening compound: 2-[(2-methyl-5-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
C607-0647 Screening compound: 2-[(2-methyl-5-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-0647
2-[(2-methyl-5-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

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

C607-0647

Molecular Formula

C17H16N4O4S (C17 H16 N4 O4 S)

Compound Name

2-[(2-methyl-5-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

IUPAC name

11-(2-methyl-5-nitrobenzenesulfonyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene

SMILES

Cc(ccc([N+]([O-])=O)c1)c1S(N1Cc2nc(cccc3)c3n2CC1)(=O)=O

InChI

InChI=1S/C17H16N4O4S/c1-12-6-7-13(21(22)23)10-16(12)26(24,25)19-8-9-20-15-5-3-2-4-14(15)18-17(20)11-19/h2-7,10H,8-9,11H2,1H3

InChI Key

BFXRDGCFRDQLOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.28

Polar Surface Area

76.274

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C607-0647 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C607-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-0647?
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What is the minimum amount of C607-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-0647
  • 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 C607-0647 available by request