8014-9316 Screening compound: 3-(4-tert-butylphenyl)-3-[2-(2-methylphenoxy)acetamido]propanoic acid

8014-9316 Screening compound: 3-(4-tert-butylphenyl)-3-[2-(2-methylphenoxy)acetamido]propanoic acid
8014-9316 Screening compound: 3-(4-tert-butylphenyl)-3-[2-(2-methylphenoxy)acetamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9316
3-(4-tert-butylphenyl)-3-[2-(2-methylphenoxy)acetamido]propanoic acid

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

8014-9316

Molecular Formula

C22H27NO4 (C22 H27 NO4)

Compound Name

3-(4-tert-butylphenyl)-3-[2-(2-methylphenoxy)acetamido]propanoic acid

IUPAC name

3-(4-tert-butylphenyl)-3-[2-(2-methylphenoxy)acetamido]propanoic acid

SMILES

CC(C)(C)c1ccc(C(CC(O)=O)NC(COc2c(C)cccc2)=O)cc1

InChI

InChI=1S/C22H27NO4/c1-15-7-5-6-8-19(15)27-14-20(24)23-18(13-21(25)26)16-9-11-17(12-10-16)22(2,3)4/h5-12,18H,13-14H2,1-4H3,(H,23,24)(H,25,26)/t18-/m0/s1

InChI Key

HBVMXVNEANDPAO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03821049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-4.43

Polar Surface Area

60.038

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8014-9316 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8014-9316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9316?
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What is the minimum amount of 8014-9316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9316
  • 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 8014-9316 available by request