1438-0045 Screening compound: 2-(adamantan-2-ylidene)acetic acid

1438-0045 Screening compound: 2-(adamantan-2-ylidene)acetic acid
1438-0045 Screening compound: 2-(adamantan-2-ylidene)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1438-0045
2-(adamantan-2-ylidene)acetic 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

1438-0045

Molecular Formula

C12H16O2 (C12 H16 O2)

Compound Name

2-(adamantan-2-ylidene)acetic acid

IUPAC name

2-(adamantan-2-ylidene)acetic acid

SMILES

OC(C=C1C2CC(C3)CC1CC3C2)=O

InChI

InChI=1S/C12H16O2/c13-12(14)6-11-9-2-7-1-8(4-9)5-10(11)3-7/h6-10H,1-5H2,(H,13,14)

InChI Key

WBWYSPVZLQQIAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.784

Distribution Coefficient, logD

0.546

Water Solubility, LogSw

-2.64

Polar Surface Area

28.656

Acid Dissociation Constant (pKa)

5.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

1438-0045 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1438-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1438-0045?
Check Price and Availability of 1438-0045, 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 1438-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1438-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1438-0045
  • 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 1438-0045 available by request