Y041-5135 Screening compound: 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one

Chemical Structure Depiction of ChemDiv screening compound Y041-5135
5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-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

Y041-5135

Molecular Formula

C₃₃H₄₀O₁₅ (C33 H40 O15)

Compound Name

5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one

IUPAC name

5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S3R4S5S6R)-345-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S3R4R5R6S)-345-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one

SMILES

C[C@H]([C@H]([C@@H]([C@@H]1O)O)O)O[C@@H]1OC1=C(c(cc2)ccc2OC)Oc(c(CC=C(C)C)c(cc2O)O[C@H]([C@H]([C@@H]3O)O)O[C@@H](CO)[C@@H]3O)c2C1=O

InChI

InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22+,23-,25-,26+,27+,28+,32-,33+/m1/s1

InChI Key

TZJALUIVHRYQQB-GGUYVARWSA-N

MDL Number (MFCD)

MFCD06738126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.67

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

8.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.400

Distribution Coefficient, logD

1.399

Water Solubility, LogSw

-2.35

Polar Surface Area

186.865

Acid Dissociation Constant (pK_a)

10.39

Base Dissociation Constant (pK_b)

0.00

Number of Chiral Centers

10.00

Percent sp³ carbon bonding

48.50

Y041-5135 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Infections
Immune system
animal
Cancer
Nervous system
Hemic and lymphatic
Congenital
Metabolic
Endocrine
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds

Structure:

Pool

Targets:

Nuclear receptors

Mechanism of action:

Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-5135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5135?
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What is the minimum amount of Y041-5135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for Y041-5135
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for Y041-5135

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 Y041-5135 available by request