Y041-1678 Screening compound: 2-[3-(3,4-dimethoxyphenyl)-3-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanamido]acetic acid

Y041-1678 Screening compound: 2-[3-(3,4-dimethoxyphenyl)-3-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanamido]acetic acid
Y041-1678 Screening compound: 2-[3-(3,4-dimethoxyphenyl)-3-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanamido]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1678
2-[3-(3,4-dimethoxyphenyl)-3-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanamido]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

Y041-1678

Molecular Formula

C28H32N2O9 (C28 H32 N2 O9)

Compound Name

2-[3-(3,4-dimethoxyphenyl)-3-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanamido]acetic acid

IUPAC name

2-[3-(34-dimethoxyphenyl)-3-[3-(7-methoxy-48-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanamido]acetic acid

SMILES

Cc(c(O1)c(cc2)C(C)=C(CCC(NC(CC(NCC(O)=O)=O)c(cc3)cc(OC)c3OC)=O)C1=O)c2OC

InChI

InChI=1S/C28H32N2O9/c1-15-18-7-10-21(36-3)16(2)27(18)39-28(35)19(15)8-11-24(31)30-20(13-25(32)29-14-26(33)34)17-6-9-22(37-4)23(12-17)38-5/h6-7,9-10,12,20H,8,11,13-14H2,1-5H3,(H,29,32)(H,30,31)(H,33,34)/t20-/m0/s1

InChI Key

HRPQDVLMESEMGF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD09843747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.760

Distribution Coefficient, logD

-2.127

Water Solubility, LogSw

-2.61

Polar Surface Area

120.421

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

Y041-1678 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-1678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1678?
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What is the minimum amount of Y041-1678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1678
  • 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 Y041-1678 available by request