Y040-8354 Screening compound: 5-carbamimidamido-2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}pentanoic acid

Y040-8354 Screening compound: 5-carbamimidamido-2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}pentanoic acid
Y040-8354 Screening compound: 5-carbamimidamido-2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8354
5-carbamimidamido-2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}pentanoic 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

Y040-8354

Molecular Formula

C25H36N4O6 (C25 H36 N4 O6)

Compound Name

5-carbamimidamido-2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}pentanoic acid

IUPAC name

(2S)-5-carbamimidamido-2-{2-[(3-hexyl-48-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}pentanoic acid

SMILES

CCCCCCC1=C(C)c(ccc(OCC(NC(CCCNC(N)=N)C(O)=O)=O)c2C)c2OC1=O

InChI

InChI=1S/C25H36N4O6/c1-4-5-6-7-9-18-15(2)17-11-12-20(16(3)22(17)35-24(18)33)34-14-21(30)29-19(23(31)32)10-8-13-28-25(26)27/h11-12,19H,4-10,13-14H2,1-3H3,(H,29,30)(H,31,32)(H4,26,27,28)/t19-/m0/s1

InChI Key

IYPZGNFJOMXUGL-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-3.00

Polar Surface Area

130.941

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

Y040-8354 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Lipid Metabolism Library (9174 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-8354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8354?
Check Price and Availability of Y040-8354, 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 Y040-8354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8354
  • 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 Y040-8354 available by request