8017-5465 Screening compound: 2-{[2-(benzoylamino)-3-(4-isopropylphenyl)propanoyl]amino}acetic acid

8017-5465 Screening compound: 2-{[2-(benzoylamino)-3-(4-isopropylphenyl)propanoyl]amino}acetic acid
8017-5465 Screening compound: 2-{[2-(benzoylamino)-3-(4-isopropylphenyl)propanoyl]amino}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5465
2-{[2-(benzoylamino)-3-(4-isopropylphenyl)propanoyl]amino}acetic 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

8017-5465

Molecular Formula

C21H24N2O4 (C21 H24 N2 O4)

Compound Name

2-{[2-(benzoylamino)-3-(4-isopropylphenyl)propanoyl]amino}acetic acid

IUPAC name

2-[2-(phenylformamido)-3-[4-(propan-2-yl)phenyl]propanamido]acetic acid

SMILES

CC(C)c1ccc(CC(C(NCC(O)=O)=O)NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C21H24N2O4/c1-14(2)16-10-8-15(9-11-16)12-18(21(27)22-13-19(24)25)23-20(26)17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t18-/m0/s1

InChI Key

WVLWZIHQVUJAFN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06017803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.930

Distribution Coefficient, logD

-1.998

Water Solubility, LogSw

-2.28

Polar Surface Area

77.351

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

8017-5465 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Human Proteases Annotated Library (2868 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-5465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5465?
Check Price and Availability of 8017-5465, 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 8017-5465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5465
  • 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 8017-5465 available by request