3931-1210 Screening compound: ethyl 3-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetamido}benzoate

3931-1210 Screening compound: ethyl 3-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetamido}benzoate
3931-1210 Screening compound: ethyl 3-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-1210
ethyl 3-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetamido}benzoate

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

3931-1210

Molecular Formula

C21H25NO4 (C21 H25 NO4)

Compound Name

ethyl 3-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetamido}benzoate

IUPAC name

ethyl 3-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetamido}benzoate

SMILES

CCOC(c1cc(NC(COc2cc(C)c(C(C)C)cc2)=O)ccc1)=O

InChI

InChI=1S/C21H25NO4/c1-5-25-21(24)16-7-6-8-17(12-16)22-20(23)13-26-18-9-10-19(14(2)3)15(4)11-18/h6-12,14H,5,13H2,1-4H3,(H,22,23)

InChI Key

SKQLXXMYRRMTNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.464

Distribution Coefficient, logD

5.464

Water Solubility, LogSw

-5.48

Polar Surface Area

51.369

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3931-1210 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3931-1210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-1210?
Check Price and Availability of 3931-1210, 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 3931-1210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-1210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-1210
  • 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 3931-1210 available by request