0831-1195 Screening compound: methyl 2-[({5-methyl-2-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]phenyl}(phenyl)methyl)amino]acetate

0831-1195 Screening compound: methyl 2-[({5-methyl-2-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]phenyl}(phenyl)methyl)amino]acetate
0831-1195 Screening compound: methyl 2-[({5-methyl-2-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]phenyl}(phenyl)methyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1195
methyl 2-[({5-methyl-2-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]phenyl}(phenyl)methyl)amino]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

0831-1195

Molecular Formula

C27H30N2O5 (C27 H30 N2 O5)

Compound Name

methyl 2-[({5-methyl-2-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]phenyl}(phenyl)methyl)amino]acetate

IUPAC name

methyl 2-[({5-methyl-2-[(E)-[(345-trimethoxyphenyl)methylidene]amino]phenyl}(phenyl)methyl)amino]acetate

SMILES

Cc(cc1)cc(C(c2ccccc2)NCC(OC)=O)c1/N=C/c(cc1OC)cc(OC)c1OC

InChI

InChI=1S/C27H30N2O5/c1-18-11-12-22(28-16-19-14-23(31-2)27(34-5)24(15-19)32-3)21(13-18)26(29-17-25(30)33-4)20-9-7-6-8-10-20/h6-16,26,29H,17H2,1-5H3/t26-/m0/s1

InChI Key

DWVANPANGZEGLL-SANMLTNESA-N

MDL Number (MFCD)

MFCD01930736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.818

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-3.99

Polar Surface Area

62.134

Acid Dissociation Constant (pKa)

20.06

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

0831-1195 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0831-1195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1195?
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What is the minimum amount of 0831-1195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1195
  • 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 0831-1195 available by request