1136-0002 Screening compound: 4-(butoxycarbonyl)benzoic acid

1136-0002 Screening compound: 4-(butoxycarbonyl)benzoic acid
1136-0002 Screening compound: 4-(butoxycarbonyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1136-0002
4-(butoxycarbonyl)benzoic 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

1136-0002

Molecular Formula

C12H14O4 (C12 H14 O4)

Compound Name

4-(butoxycarbonyl)benzoic acid

IUPAC name

4-(butoxycarbonyl)benzoic acid

SMILES

CCCCOC(c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)

InChI Key

QLUQHFODHZKSDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.624

Distribution Coefficient, logD

0.017

Water Solubility, LogSw

-3.46

Polar Surface Area

49.694

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1136-0002 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1136-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1136-0002?
Check Price and Availability of 1136-0002, 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 1136-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1136-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1136-0002
  • 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 1136-0002 available by request