0100-0048 Screening compound: 4-acetylheptanoic acid

0100-0048 Screening compound: 4-acetylheptanoic acid
0100-0048 Screening compound: 4-acetylheptanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0100-0048
4-acetylheptanoic 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

0100-0048

Molecular Formula

C9H16O3 (C9 H16 O3)

Compound Name

4-acetylheptanoic acid

IUPAC name

4-acetylheptanoic acid

SMILES

CCCC(CCC(O)=O)C(C)=O

InChI

InChI=1S/C9H16O3/c1-3-4-8(7(2)10)5-6-9(11)12/h8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1

InChI Key

SMBCWMTWMXZVCO-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00456296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

172.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.375

Distribution Coefficient, logD

-1.223

Water Solubility, LogSw

-1.05

Polar Surface Area

42.721

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.80

0100-0048 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0100-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0100-0048?
Check Price and Availability of 0100-0048, 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 0100-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0100-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0100-0048
  • 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 0100-0048 available by request