D715-0522 Screening compound: 4-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}butanoic acid

D715-0522 Screening compound: 4-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}butanoic acid
D715-0522 Screening compound: 4-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-0522
4-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}butanoic 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

D715-0522

Molecular Formula

C25H27NO6 (C25 H27 NO6)

Compound Name

4-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}butanoic acid

IUPAC name

4-{2-[(3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}butanoic acid

SMILES

CC(C(NCCCC(O)=O)=O)Oc(cc1)c(C)c(O2)c1C(C)=C(Cc1ccccc1)C2=O

InChI

InChI=1S/C25H27NO6/c1-15-19-11-12-21(31-17(3)24(29)26-13-7-10-22(27)28)16(2)23(19)32-25(30)20(15)14-18-8-5-4-6-9-18/h4-6,8-9,11-12,17H,7,10,13-14H2,1-3H3,(H,26,29)(H,27,28)/t17-/m0/s1

InChI Key

GUDLKGHSGHRLGS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04145526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

0.555

Water Solubility, LogSw

-3.51

Polar Surface Area

80.359

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

D715-0522 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with D715-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-0522?
Check Price and Availability of D715-0522, 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 D715-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-0522
  • 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 D715-0522 available by request