8017-1175 Screening compound: 2-{[(1-ethyl-1-methyl-2-propynyl)amino]carbonyl}benzoic acid

8017-1175 Screening compound: 2-{[(1-ethyl-1-methyl-2-propynyl)amino]carbonyl}benzoic acid
8017-1175 Screening compound: 2-{[(1-ethyl-1-methyl-2-propynyl)amino]carbonyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1175
2-{[(1-ethyl-1-methyl-2-propynyl)amino]carbonyl}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

8017-1175

Molecular Formula

C14H15NO3 (C14 H15 NO3)

Compound Name

2-{[(1-ethyl-1-methyl-2-propynyl)amino]carbonyl}benzoic acid

IUPAC name

2-[(3-methylpent-1-yn-3-yl)carbamoyl]benzoic acid

SMILES

CCC(C)(C#C)NC(c(cccc1)c1C(O)=O)=O

InChI

InChI=1S/C14H15NO3/c1-4-14(3,5-2)15-12(16)10-8-6-7-9-11(10)13(17)18/h1,6-9H,5H2,2-3H3,(H,15,16)(H,17,18)/t14-/m1/s1

InChI Key

VZGYZZMXHDWMKP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06014213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.899

Distribution Coefficient, logD

-2.131

Water Solubility, LogSw

-2.58

Polar Surface Area

53.090

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

8017-1175 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-1175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1175?
Check Price and Availability of 8017-1175, 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 8017-1175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1175
  • 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 8017-1175 available by request