3260-0137 Screening compound: methyl 2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate

3260-0137 Screening compound: methyl 2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate
3260-0137 Screening compound: methyl 2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0137
methyl 2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-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

3260-0137

Molecular Formula

C11H13N3O2 (C11 H13 N3 O2)

Compound Name

methyl 2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate

IUPAC name

methyl 2-(2-imino-3-methyl-23-dihydro-1H-13-benzodiazol-1-yl)acetate

SMILES

CN(c(cccc1)c1N1CC(OC)=O)C1=N

InChI

InChI=1S/C11H13N3O2/c1-13-8-5-3-4-6-9(8)14(11(13)12)7-10(15)16-2/h3-6,12H,7H2,1-2H3

InChI Key

KCORFZSMJXQRMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541844

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

219.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.937

Distribution Coefficient, logD

0.270

Water Solubility, LogSw

-1.87

Polar Surface Area

42.470

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3260-0137 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3260-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0137?
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What is the minimum amount of 3260-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0137
  • 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 3260-0137 available by request