5514-0136 Screening compound: 3-[(Z)-N'-(benzenesulfonyl)-1-phenylmethanimidamido]propanoic acid

5514-0136 Screening compound: 3-[(Z)-N'-(benzenesulfonyl)-1-phenylmethanimidamido]propanoic acid
5514-0136 Screening compound: 3-[(Z)-N'-(benzenesulfonyl)-1-phenylmethanimidamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5514-0136
3-[(Z)-N'-(benzenesulfonyl)-1-phenylmethanimidamido]propanoic 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

5514-0136

Molecular Formula

C16H16N2O4S (C16 H16 N2 O4 S)

Compound Name

3-[(Z)-N'-(benzenesulfonyl)-1-phenylmethanimidamido]propanoic acid

IUPAC name

3-[(Z)-N'-(benzenesulfonyl)-1-phenylmethanimidamido]propanoic acid

SMILES

OC(CCN/C(/c1ccccc1)=N\S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C16H16N2O4S/c19-15(20)11-12-17-16(13-7-3-1-4-8-13)18-23(21,22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)(H,19,20)

InChI Key

HZJZWUBKCCETFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.357

Distribution Coefficient, logD

-1.338

Water Solubility, LogSw

-2.26

Polar Surface Area

78.508

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 5514-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5514-0136?
Check Price and Availability of 5514-0136, 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 5514-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5514-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5514-0136
  • 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 5514-0136 available by request