C607-0614 Screening compound: ethyl 4-{[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylcarbothioyl]amino}benzoate

C607-0614 Screening compound: ethyl 4-{[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylcarbothioyl]amino}benzoate
C607-0614 Screening compound: ethyl 4-{[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylcarbothioyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-0614
ethyl 4-{[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylcarbothioyl]amino}benzoate

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

C607-0614

Molecular Formula

C20H20N4O2S (C20 H20 N4 O2 S)

Compound Name

ethyl 4-{[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylcarbothioyl]amino}benzoate

IUPAC name

ethyl 4-({1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene-11-carbothioyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(N1Cc2nc(cccc3)c3n2CC1)=S)=O

InChI

InChI=1S/C20H20N4O2S/c1-2-26-19(25)14-7-9-15(10-8-14)21-20(27)23-11-12-24-17-6-4-3-5-16(17)22-18(24)13-23/h3-10H,2,11-13H2,1H3,(H,21,27)

InChI Key

WHURKPPRMATYME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-3.99

Polar Surface Area

42.833

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C607-0614 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Covalent Inhibitors Library (7986 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
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C607-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-0614?
Check Price and Availability of C607-0614, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C607-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-0614
  • 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 C607-0614 available by request