Y021-0575 Screening compound: N~4~-butyl-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide

Y021-0575 Screening compound: N~4~-butyl-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide
Y021-0575 Screening compound: N~4~-butyl-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0575
N~4~-butyl-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide

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

Y021-0575

Molecular Formula

C15H18N4O2 (C15 H18 N4 O2)

Compound Name

N~4~-butyl-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide

IUPAC name

N-butyl-11-oxo-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene-13-carboxamide

SMILES

CCCCNC(C(CC(N1)=O)n2c1nc1c2cccc1)=O

InChI

InChI=1S/C15H18N4O2/c1-2-3-8-16-14(21)12-9-13(20)18-15-17-10-6-4-5-7-11(10)19(12)15/h4-7,12H,2-3,8-9H2,1H3,(H,16,21)(H,17,18,20)/t12-/m1/s1

InChI Key

FFJWCNUFFNGUAB-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD26124763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.783

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-2.22

Polar Surface Area

63.093

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y021-0575 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Soluble Diversity Library (15920 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with Y021-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0575?
Check Price and Availability of Y021-0575, 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 Y021-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0575
  • 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 Y021-0575 available by request