5307-0071 Screening compound: 2-{2-imino-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetic acid

5307-0071 Screening compound: 2-{2-imino-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetic acid
5307-0071 Screening compound: 2-{2-imino-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5307-0071
2-{2-imino-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetic 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

5307-0071

Molecular Formula

C17H17N3O2 (C17 H17 N3 O2)

Compound Name

2-{2-imino-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetic acid

IUPAC name

2-{2-imino-3-[(2-methylphenyl)methyl]-23-dihydro-1H-13-benzodiazol-1-yl}acetic acid

SMILES

Cc1c(CN(c(cccc2)c2N2CC(O)=O)C2=N)cccc1

InChI

InChI=1S/C17H17N3O2/c1-12-6-2-3-7-13(12)10-19-14-8-4-5-9-15(14)20(17(19)18)11-16(21)22/h2-9,18H,10-11H2,1H3,(H,21,22)

InChI Key

ALGYMKBWWNCCFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03446672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.316

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-2.43

Polar Surface Area

50.238

Acid Dissociation Constant (pKa)

4.08

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

5307-0071 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 5307-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5307-0071?
Check Price and Availability of 5307-0071, 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 5307-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5307-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5307-0071
  • 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 5307-0071 available by request