8525-0153 Screening compound: ETHYL 2-(3-OXO-2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-2-YL)ACETATE

8525-0153 Screening compound: ETHYL 2-(3-OXO-2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-2-YL)ACETATE
8525-0153 Screening compound: ETHYL 2-(3-OXO-2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-2-YL)ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0153
ETHYL 2-(3-OXO-2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-2-YL)ACETATE

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

8525-0153

Molecular Formula

C13H13N3O3 (C13 H13 N3 O3)

Compound Name

ETHYL 2-(3-OXO-2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-2-YL)ACETATE

IUPAC name

ethyl 2-{3-oxo-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-4-yl}acetate

SMILES

CCOC(CC1Nc2nc(cccc3)c3n2C1=O)=O

InChI

InChI=1S/C13H13N3O3/c1-2-19-11(17)7-9-12(18)16-10-6-4-3-5-8(10)14-13(16)15-9/h3-6,9H,2,7H2,1H3,(H,14,15)/t9-/m0/s1

InChI Key

KSOZLVSDQCJWCV-VIFPVBQESA-N

MDL Number (MFCD)

MFCD08075618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.069

Distribution Coefficient, logD

0.728

Water Solubility, LogSw

-2.00

Polar Surface Area

59.471

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

8525-0153 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8525-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0153?
Check Price and Availability of 8525-0153, 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 8525-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0153
  • 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 8525-0153 available by request