2281-0135 Screening compound: 4-[(E)-(pentanamidoimino)methyl]phenyl benzoate

2281-0135 Screening compound: 4-[(E)-(pentanamidoimino)methyl]phenyl benzoate
2281-0135 Screening compound: 4-[(E)-(pentanamidoimino)methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2281-0135
4-[(E)-(pentanamidoimino)methyl]phenyl benzoate

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

2281-0135

Molecular Formula

C19H20N2O3 (C19 H20 N2 O3)

Compound Name

4-[(E)-(pentanamidoimino)methyl]phenyl benzoate

IUPAC name

4-[(E)-(pentanamidoimino)methyl]phenyl benzoate

SMILES

CCCCC(N/N=C/c(cc1)ccc1OC(c1ccccc1)=O)=O

InChI

InChI=1S/C19H20N2O3/c1-2-3-9-18(22)21-20-14-15-10-12-17(13-11-15)24-19(23)16-7-5-4-6-8-16/h4-8,10-14H,2-3,9H2,1H3,(H,21,22)

InChI Key

KTKFJZKHUYFQCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01840908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.61

Polar Surface Area

55.990

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 2281-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2281-0135?
Check Price and Availability of 2281-0135, 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 2281-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2281-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2281-0135
  • 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 2281-0135 available by request