8016-6906 Screening compound: 3-[4-(tert-butyl)phenyl]-3-[(4-methoxybenzoyl)amino]propanoic acid

8016-6906 Screening compound: 3-[4-(tert-butyl)phenyl]-3-[(4-methoxybenzoyl)amino]propanoic acid
8016-6906 Screening compound: 3-[4-(tert-butyl)phenyl]-3-[(4-methoxybenzoyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6906
3-[4-(tert-butyl)phenyl]-3-[(4-methoxybenzoyl)amino]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

8016-6906

Molecular Formula

C21H25NO4 (C21 H25 NO4)

Compound Name

3-[4-(tert-butyl)phenyl]-3-[(4-methoxybenzoyl)amino]propanoic acid

IUPAC name

3-(4-tert-butylphenyl)-3-[(4-methoxyphenyl)formamido]propanoic acid

SMILES

CC(C)(C)c1ccc(C(CC(O)=O)NC(c(cc2)ccc2OC)=O)cc1

InChI

InChI=1S/C21H25NO4/c1-21(2,3)16-9-5-14(6-10-16)18(13-19(23)24)22-20(25)15-7-11-17(26-4)12-8-15/h5-12,18H,13H2,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1

InChI Key

KNARZXBKENLRAV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05858376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

1.440

Water Solubility, LogSw

-4.19

Polar Surface Area

60.210

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8016-6906 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-6906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6906?
Check Price and Availability of 8016-6906, 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 8016-6906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6906
  • 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 8016-6906 available by request