1682-5598 Screening compound: phenyl 2-hydroxy-4-(2-methylpropanamido)benzoate

1682-5598 Screening compound: phenyl 2-hydroxy-4-(2-methylpropanamido)benzoate
1682-5598 Screening compound: phenyl 2-hydroxy-4-(2-methylpropanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-5598
phenyl 2-hydroxy-4-(2-methylpropanamido)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

1682-5598

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

phenyl 2-hydroxy-4-(2-methylpropanamido)benzoate

IUPAC name

phenyl 2-hydroxy-4-(2-methylpropanamido)benzoate

SMILES

CC(C)C(Nc(cc1)cc(O)c1C(Oc1ccccc1)=O)=O

InChI

InChI=1S/C17H17NO4/c1-11(2)16(20)18-12-8-9-14(15(19)10-12)17(21)22-13-6-4-3-5-7-13/h3-11,19H,1-2H3,(H,18,20)

InChI Key

SZXBUMVIELHVCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.073

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-3.85

Polar Surface Area

60.527

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1682-5598 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1682-5598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-5598?
Check Price and Availability of 1682-5598, 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 1682-5598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-5598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-5598
  • 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 1682-5598 available by request