D454-0076 Screening compound: N-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-N'-phenylurea

D454-0076 Screening compound: N-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-N'-phenylurea
D454-0076 Screening compound: N-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-N'-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0076
N-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-N'-phenylurea

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

D454-0076

Molecular Formula

C23H21N5O (C23 H21 N5 O)

Compound Name

N-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-N'-phenylurea

IUPAC name

1-phenyl-3-(3-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)urea

SMILES

O=C(Nc1ccccc1)Nc1cc(N2Cc3nc(cccc4)c4n3CC2)ccc1

InChI

InChI=1S/C23H21N5O/c29-23(24-17-7-2-1-3-8-17)25-18-9-6-10-19(15-18)27-13-14-28-21-12-5-4-11-20(21)26-22(28)16-27/h1-12,15H,13-14,16H2,(H2,24,25,29)

InChI Key

OWJMQNARMFGUFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

4.870

Water Solubility, LogSw

-4.85

Polar Surface Area

46.937

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D454-0076 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D454-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0076?
Check Price and Availability of D454-0076, 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 D454-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0076
  • 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 D454-0076 available by request