Y041-2133 Screening compound: 2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid

Y041-2133 Screening compound: 2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid
Y041-2133 Screening compound: 2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2133
2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}-3-(1H-indol-3-yl)propanoic 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

Y041-2133

Molecular Formula

C31H23BrN2O6 (C31 H23 BrN2 O6)

Compound Name

2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid

IUPAC name

(2R)-2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[32-g]chromen-6-yl]acetamido}-3-(1H-indol-3-yl)propanoic acid

SMILES

CC(c(c(O1)c2)cc3c2occ3-c(cc2)ccc2Br)=C(CC(NC(Cc2c[nH]c3c2cccc3)C(O)=O)=O)C1=O

InChI

InChI=1S/C31H23BrN2O6/c1-16-21-11-23-24(17-6-8-19(32)9-7-17)15-39-27(23)13-28(21)40-31(38)22(16)12-29(35)34-26(30(36)37)10-18-14-33-25-5-3-2-4-20(18)25/h2-9,11,13-15,26,33H,10,12H2,1H3,(H,34,35)(H,36,37)/t26-/m0/s1

InChI Key

YGLFHIPQXVRKDL-SANMLTNESA-N

MDL Number (MFCD)

MFCD06493470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

1.442

Water Solubility, LogSw

-4.66

Polar Surface Area

92.557

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

Y041-2133 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

MCL1 Targeted Library (12200 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2133?
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What is the minimum amount of Y041-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2133
  • 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 Y041-2133 available by request