8012-6147 Screening compound: (4Z)-2-(adamantan-1-yl)-4-[(2-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

8012-6147 Screening compound: (4Z)-2-(adamantan-1-yl)-4-[(2-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
8012-6147 Screening compound: (4Z)-2-(adamantan-1-yl)-4-[(2-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6147
(4Z)-2-(adamantan-1-yl)-4-[(2-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

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

8012-6147

Molecular Formula

C20H21NO3 (C20 H21 NO3)

Compound Name

(4Z)-2-(adamantan-1-yl)-4-[(2-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(adamantan-1-yl)-4-[(2-hydroxyphenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

Oc1c(/C=C2\N=C(C3(CC(C4)C5)CC5CC4C3)OC2=O)cccc1

InChI

InChI=1S/C20H21NO3/c22-17-4-2-1-3-15(17)8-16-18(23)24-19(21-16)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14,22H,5-7,9-11H2

InChI Key

HVLMRFAXXOZLDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02915925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.25

Polar Surface Area

46.957

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8012-6147 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8012-6147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6147?
Check Price and Availability of 8012-6147, 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 8012-6147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6147
  • 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 8012-6147 available by request