Y041-1916 Screening compound: (2R,3S)-2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}-3-methylpentanoic acid

Y041-1916 Screening compound: (2R,3S)-2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}-3-methylpentanoic acid
Y041-1916 Screening compound: (2R,3S)-2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}-3-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1916
(2R,3S)-2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}-3-methylpentanoic 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

Y041-1916

Molecular Formula

C26H31NO6 (C26 H31 NO6)

Compound Name

(2R,3S)-2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}-3-methylpentanoic acid

IUPAC name

(2R3S)-2-(3-{27-dimethyl-5-oxo-417-dioxatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)26811(16)-pentaen-6-yl}propanamido)-3-methylpentanoic acid

SMILES

CC[C@@H](C)[C@@H](C(O)=O)NC(CCC1=C(C)c(cc(c(CCCC2)c2o2)c2c2C)c2OC1=O)=O

InChI

InChI=1S/C26H31NO6/c1-5-13(2)22(25(29)30)27-21(28)11-10-16-14(3)18-12-19-17-8-6-7-9-20(17)32-24(19)15(4)23(18)33-26(16)31/h12-13,22H,5-11H2,1-4H3,(H,27,28)(H,29,30)/t13-,22+/m1/s1

InChI Key

DPIMMPIMQIETGR-DMZKTXOQSA-N

MDL Number (MFCD)

MFCD10041522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

-0.240

Water Solubility, LogSw

-3.70

Polar Surface Area

81.425

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

Y041-1916 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ACE2 Library (3043 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y041-1916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1916?
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What is the minimum amount of Y041-1916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1916
  • 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 Y041-1916 available by request