Y021-1299 Screening compound: 10-amino-4-oxo-4,10-dihydropyrimido[1,2-a][1,3]benzimidazole-2-carboxylic acid

Y021-1299 Screening compound: 10-amino-4-oxo-4,10-dihydropyrimido[1,2-a][1,3]benzimidazole-2-carboxylic acid
Y021-1299 Screening compound: 10-amino-4-oxo-4,10-dihydropyrimido[1,2-a][1,3]benzimidazole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1299
10-amino-4-oxo-4,10-dihydropyrimido[1,2-a][1,3]benzimidazole-2-carboxylic acid

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

Y021-1299

Molecular Formula

C11H8N4O3 (C11 H8 N4 O3)

Compound Name

10-amino-4-oxo-4,10-dihydropyrimido[1,2-a][1,3]benzimidazole-2-carboxylic acid

IUPAC name

8-amino-13-oxo-1810-triazatricyclo[7.4.0.0^{27}]trideca-246911-pentaene-11-carboxylic acid

SMILES

NN(c(cccc1)c1N12)C2=NC(C(O)=O)=CC1=O

InChI

InChI=1S/C11H8N4O3/c12-15-8-4-2-1-3-7(8)14-9(16)5-6(10(17)18)13-11(14)15/h1-5H,12H2,(H,17,18)

InChI Key

WZLRKMJWDLLGHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31952359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.641

Distribution Coefficient, logD

-6.248

Water Solubility, LogSw

-1.40

Polar Surface Area

73.541

Acid Dissociation Constant (pKa)

1.79

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y021-1299 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y021-1299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1299?
Check Price and Availability of Y021-1299, 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 Y021-1299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1299
  • 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 Y021-1299 available by request