3260-0144 Screening compound: methyl 2-{2-imino-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

3260-0144 Screening compound: methyl 2-{2-imino-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate
3260-0144 Screening compound: methyl 2-{2-imino-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0144
methyl 2-{2-imino-3-[(4-methylphenyl)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

3260-0144

Molecular Formula

C18H19N3O2 (C18 H19 N3 O2)

Compound Name

methyl 2-{2-imino-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

IUPAC name

methyl 2-{2-imino-3-[(4-methylphenyl)methyl]-23-dihydro-1H-13-benzodiazol-1-yl}acetate

SMILES

Cc1ccc(CN(c(cccc2)c2N2CC(OC)=O)C2=N)cc1

InChI

InChI=1S/C18H19N3O2/c1-13-7-9-14(10-8-13)11-20-15-5-3-4-6-16(15)21(18(20)19)12-17(22)23-2/h3-10,19H,11-12H2,1-2H3

InChI Key

ISALIKHKGUXNTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087000

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-3.35

Polar Surface Area

42.433

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

7.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3260-0144 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3260-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0144?
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What is the minimum amount of 3260-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0144
  • 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 3260-0144 available by request