1216-0134 Screening compound: ethyl 4-(4-hexylphenyl)-4-oxobutanoate

1216-0134 Screening compound: ethyl 4-(4-hexylphenyl)-4-oxobutanoate
1216-0134 Screening compound: ethyl 4-(4-hexylphenyl)-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1216-0134
ethyl 4-(4-hexylphenyl)-4-oxobutanoate

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

1216-0134

Molecular Formula

C18H26O3 (C18 H26 O3)

Compound Name

ethyl 4-(4-hexylphenyl)-4-oxobutanoate

IUPAC name

ethyl 4-(4-hexylphenyl)-4-oxobutanoate

SMILES

CCCCCCc(cc1)ccc1C(CCC(OCC)=O)=O

InChI

InChI=1S/C18H26O3/c1-3-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(20)21-4-2/h9-12H,3-8,13-14H2,1-2H3

InChI Key

QGCUKRFRTAOHEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.372

Distribution Coefficient, logD

5.372

Water Solubility, LogSw

-5.16

Polar Surface Area

33.644

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

1216-0134 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1216-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1216-0134?
Check Price and Availability of 1216-0134, 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 1216-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1216-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1216-0134
  • 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 1216-0134 available by request