Y040-4315 Screening compound: 2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}butanoic acid

Y040-4315 Screening compound: 2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}butanoic acid
Y040-4315 Screening compound: 2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4315
2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}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

Y040-4315

Molecular Formula

C24H20BrNO6 (C24 H20 BrNO6)

Compound Name

2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}butanoic acid

IUPAC name

2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[32-g]chromen-6-yl]acetamido}butanoic acid

SMILES

CCC(C(O)=O)NC(CC(C(Oc1c2)=O)=C(C)c1cc1c2occ1-c(cc1)ccc1Br)=O

InChI

InChI=1S/C24H20BrNO6/c1-3-19(23(28)29)26-22(27)9-16-12(2)15-8-17-18(13-4-6-14(25)7-5-13)11-31-20(17)10-21(15)32-24(16)30/h4-8,10-11,19H,3,9H2,1-2H3,(H,26,27)(H,28,29)/t19-/m0/s1

InChI Key

PGHHRZUDMKIHKE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06494567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

0.254

Water Solubility, LogSw

-4.00

Polar Surface Area

82.958

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

Y040-4315 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-4315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4315?
Check Price and Availability of Y040-4315, 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 Y040-4315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4315
  • 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 Y040-4315 available by request