Y041-5137 Screening compound: 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

Chemical Structure Depiction of ChemDiv screening compound Y041-5137
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y041-5137

Molecular Formula

C₂₇H₃₂O₁₄ (C27 H32 O14)

Compound Name

7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

IUPAC name

(2R)-7-{[(2S3R4S5S6R)-45-dihydroxy-6-(hydroxymethyl)-3-{[(2S3R4R5R6S)-345-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-34-dihydro-2H-1-benzopyran-4-one

SMILES

C[C@H]([C@H]([C@@H]([C@@H]1O)O)O)O[C@@H]1O[C@@H]([C@@H]1O)[C@@H](Oc2cc(O[C@@H](CC3=O)c(cc4)ccc4O)c3c(O)c2)O[C@@H](CO)[C@@H]1O

InChI

InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20+,21-,22-,23+,24+,25+,26-,27+/m1/s1

InChI Key

DFPMSGMNTNDNHN-BXRVWZDVSA-N

MDL Number (MFCD)

MFCD01882109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.54

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

8.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

-0.476

Distribution Coefficient, logD

-0.478

Water Solubility, LogSw

-1.89

Polar Surface Area

180.665

Acid Dissociation Constant (pK_a)

9.85

Base Dissociation Constant (pK_b)

0.00

Number of Chiral Centers

11.00

Percent sp³ carbon bonding

51.90

Y041-5137 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Antiviral HBV Library (10007 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:

Infections
Immune system
animal
Infections
Immune system
animal
Antiviral
Infections
Immune system
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Agro:

Agro

Targets:

Phosphatases

References: we are preparing a list of scientific research reports with Y041-5137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5137?
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What is the minimum amount of Y041-5137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for Y041-5137
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for Y041-5137

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 Y041-5137 available by request