R052-2107 Screening compound: 3-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid

R052-2107 Screening compound: 3-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid
R052-2107 Screening compound: 3-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2107
3-amino-3-[4-(3-methylbutoxy)phenyl]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

R052-2107

Molecular Formula

C14H21NO3 (C14 H21 NO3)

Compound Name

3-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid

IUPAC name

3-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid

SMILES

CC(C)CCOc1ccc(C(CC(O)=O)N)cc1

InChI

InChI=1S/C14H21NO3/c1-10(2)7-8-18-12-5-3-11(4-6-12)13(15)9-14(16)17/h3-6,10,13H,7-9,15H2,1-2H3,(H,16,17)/t13-/m0/s1

InChI Key

DYOKEQAYQSYQPB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00699814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.899

Distribution Coefficient, logD

0.899

Water Solubility, LogSw

-1.33

Polar Surface Area

56.829

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

R052-2107 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with R052-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2107?
Check Price and Availability of R052-2107, 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 R052-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2107
  • 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 R052-2107 available by request