3886-0953 Screening compound: 3-[4-butyl-5-ethoxy-4-(ethoxycarbonyl)-5-oxopentanamido]benzoic acid

3886-0953 Screening compound: 3-[4-butyl-5-ethoxy-4-(ethoxycarbonyl)-5-oxopentanamido]benzoic acid
3886-0953 Screening compound: 3-[4-butyl-5-ethoxy-4-(ethoxycarbonyl)-5-oxopentanamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-0953
3-[4-butyl-5-ethoxy-4-(ethoxycarbonyl)-5-oxopentanamido]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

3886-0953

Molecular Formula

C21H29NO7 (C21 H29 NO7)

Compound Name

3-[4-butyl-5-ethoxy-4-(ethoxycarbonyl)-5-oxopentanamido]benzoic acid

IUPAC name

3-[4-butyl-5-ethoxy-4-(ethoxycarbonyl)-5-oxopentanamido]benzoic acid

SMILES

CCCCC(CCC(Nc1cccc(C(O)=O)c1)=O)(C(OCC)=O)C(OCC)=O

InChI

InChI=1S/C21H29NO7/c1-4-7-12-21(19(26)28-5-2,20(27)29-6-3)13-11-17(23)22-16-10-8-9-15(14-16)18(24)25/h8-10,14H,4-7,11-13H2,1-3H3,(H,22,23)(H,24,25)

InChI Key

ARRKBGGQBBHODB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02855737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

1.714

Water Solubility, LogSw

-4.23

Polar Surface Area

93.303

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with 3886-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-0953?
Check Price and Availability of 3886-0953, 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 3886-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-0953
  • 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 3886-0953 available by request