5604-0111 Screening compound: 4-(4-butyl-4-carboxy-3-methylbutanamido)benzoic acid

5604-0111 Screening compound: 4-(4-butyl-4-carboxy-3-methylbutanamido)benzoic acid
5604-0111 Screening compound: 4-(4-butyl-4-carboxy-3-methylbutanamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5604-0111
4-(4-butyl-4-carboxy-3-methylbutanamido)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

5604-0111

Molecular Formula

C17H23NO5 (C17 H23 NO5)

Compound Name

4-(4-butyl-4-carboxy-3-methylbutanamido)benzoic acid

IUPAC name

4-(4-butyl-4-carboxy-3-methylbutanamido)benzoic acid

SMILES

CCCCC(C(C)CC(Nc(cc1)ccc1C(O)=O)=O)C(O)=O

InChI

InChI=1S/C17H23NO5/c1-3-4-5-14(17(22)23)11(2)10-15(19)18-13-8-6-12(7-9-13)16(20)21/h6-9,11,14H,3-5,10H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)

InChI Key

WWPYVKGNBYMDKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01546939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.182

Distribution Coefficient, logD

0.786

Water Solubility, LogSw

-3.40

Polar Surface Area

80.204

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with 5604-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5604-0111?
Check Price and Availability of 5604-0111, 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 5604-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5604-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5604-0111
  • 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 5604-0111 available by request