2181-0709 Screening compound: 2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2-bromobenzoate

2181-0709 Screening compound: 2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2-bromobenzoate
2181-0709 Screening compound: 2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0709
2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2-bromobenzoate

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

2181-0709

Molecular Formula

C24H22BrN3O4 (C24 H22 BrN3 O4)

Compound Name

2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2-bromobenzoate

IUPAC name

2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2-bromobenzoate

SMILES

Cc(cccc1)c1NCC(N/N=C\c(cc1)cc(OC)c1OC(c(cccc1)c1Br)=O)=O

InChI

InChI=1S/C24H22BrN3O4/c1-16-7-3-6-10-20(16)26-15-23(29)28-27-14-17-11-12-21(22(13-17)31-2)32-24(30)18-8-4-5-9-19(18)25/h3-14,26H,15H2,1-2H3,(H,28,29)

InChI Key

VDAGWFZUXSIQRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.868

Distribution Coefficient, logD

4.868

Water Solubility, LogSw

-4.67

Polar Surface Area

73.244

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 2181-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0709?
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What is the minimum amount of 2181-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0709
  • 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 2181-0709 available by request