8008-3589 Screening compound: 5-({4-methyl-5-nitro-6-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]pyrimidin-2-yl}amino)-2,3-dihydro-1H-1,3-benzodiazol-2-one

8008-3589 Screening compound: 5-({4-methyl-5-nitro-6-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]pyrimidin-2-yl}amino)-2,3-dihydro-1H-1,3-benzodiazol-2-one
8008-3589 Screening compound: 5-({4-methyl-5-nitro-6-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]pyrimidin-2-yl}amino)-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3589
5-({4-methyl-5-nitro-6-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]pyrimidin-2-yl}amino)-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

8008-3589

Molecular Formula

C19H15N9O4 (C19 H15 N9 O4)

Compound Name

5-({4-methyl-5-nitro-6-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]pyrimidin-2-yl}amino)-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-({4-methyl-5-nitro-6-[(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)amino]pyrimidin-2-yl}amino)-23-dihydro-1H-13-benzodiazol-2-one

SMILES

Cc1nc(Nc(cc2)cc(N3)c2NC3=O)nc(Nc(cc2)cc(N3)c2NC3=O)c1[N+]([O-])=O

InChI

InChI=1S/C19H15N9O4/c1-8-15(28(31)32)16(21-9-2-4-11-13(6-9)25-18(29)23-11)27-17(20-8)22-10-3-5-12-14(7-10)26-19(30)24-12/h2-7H,1H3,(H2,23,25,29)(H2,24,26,30)(H2,20,21,22,27)

InChI Key

SMMUADHWLNFBDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01136268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.48

Polar Surface Area

143.219

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8008-3589 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-3589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3589?
Check Price and Availability of 8008-3589, 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 8008-3589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3589
  • 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 8008-3589 available by request