8013-6027 Screening compound: 3-[(adamantan-1-yl)formamido]-3-(4-propoxyphenyl)propanoic acid

8013-6027 Screening compound: 3-[(adamantan-1-yl)formamido]-3-(4-propoxyphenyl)propanoic acid
8013-6027 Screening compound: 3-[(adamantan-1-yl)formamido]-3-(4-propoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6027
3-[(adamantan-1-yl)formamido]-3-(4-propoxyphenyl)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

8013-6027

Molecular Formula

C23H31NO4 (C23 H31 NO4)

Compound Name

3-[(adamantan-1-yl)formamido]-3-(4-propoxyphenyl)propanoic acid

IUPAC name

3-[(adamantan-1-yl)formamido]-3-(4-propoxyphenyl)propanoic acid

SMILES

CCCOc1ccc(C(CC(O)=O)NC(C2(CC(C3)C4)CC4CC3C2)=O)cc1

InChI

InChI=1S/C23H31NO4/c1-2-7-28-19-5-3-18(4-6-19)20(11-21(25)26)24-22(27)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-6,15-17,20H,2,7-14H2,1H3,(H,24,27)(H,25,26)/t15?,16?,17?,20-,23?/m0/s1

InChI Key

QRHAHDRSXMWKPA-SXYIGIQMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.5

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

4.980

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-4.44

Polar Surface Area

60.117

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

8013-6027 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-6027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6027?
Check Price and Availability of 8013-6027, 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 8013-6027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6027
  • 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 8013-6027 available by request