0910-0121 Screening compound: methyl 2-({[5-methyl-2-(3,4,5-trimethoxybenzamido)phenyl](phenyl)methyl}amino)acetate

0910-0121 Screening compound: methyl 2-({[5-methyl-2-(3,4,5-trimethoxybenzamido)phenyl](phenyl)methyl}amino)acetate
0910-0121 Screening compound: methyl 2-({[5-methyl-2-(3,4,5-trimethoxybenzamido)phenyl](phenyl)methyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0910-0121
methyl 2-({[5-methyl-2-(3,4,5-trimethoxybenzamido)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

0910-0121

Molecular Formula

C27H30N2O6 (C27 H30 N2 O6)

Compound Name

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

IUPAC name

methyl 2-({[5-methyl-2-(345-trimethoxybenzamido)phenyl](phenyl)methyl}amino)acetate

SMILES

Cc(cc1)cc(C(c2ccccc2)NCC(OC)=O)c1NC(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C27H30N2O6/c1-17-11-12-21(29-27(31)19-14-22(32-2)26(35-5)23(15-19)33-3)20(13-17)25(28-16-24(30)34-4)18-9-7-6-8-10-18/h6-15,25,28H,16H2,1-5H3,(H,29,31)/t25-/m0/s1

InChI Key

KBHAPPIEQCECJB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00846152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

3.399

Water Solubility, LogSw

-3.62

Polar Surface Area

77.097

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

0910-0121 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0910-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0910-0121?
Check Price and Availability of 0910-0121, 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 0910-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0910-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0910-0121
  • 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 0910-0121 available by request