Y041-3676 Screening compound: 4-methyl-N-[2-(N'-{6'-phenyl-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene}hydrazinecarbonyl)ethyl]benzene-1-sulfonamide

Y041-3676 Screening compound: 4-methyl-N-[2-(N'-{6'-phenyl-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene}hydrazinecarbonyl)ethyl]benzene-1-sulfonamide
Y041-3676 Screening compound: 4-methyl-N-[2-(N'-{6'-phenyl-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene}hydrazinecarbonyl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3676
4-methyl-N-[2-(N'-{6'-phenyl-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene}hydrazinecarbonyl)ethyl]benzene-1-sulfonamide

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

Y041-3676

Molecular Formula

C33H35N3O5S (C33 H35 N3 O5 S)

Compound Name

4-methyl-N-[2-(N'-{6'-phenyl-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene}hydrazinecarbonyl)ethyl]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[2-(N'-{6'-phenyl-4'8'-dihydro-3'H-spiro[cyclohexane-12'-pyrano[32-g]chromen]-8'-ylidene}hydrazinecarbonyl)ethyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCCC(N/N=C1/Oc(cc2OC3(CCCCC3)CCc2c2)c2C(c2ccccc2)=C1)=O)(=O)=O

InChI

InChI=1S/C33H35N3O5S/c1-23-10-12-26(13-11-23)42(38,39)34-19-15-31(37)35-36-32-21-27(24-8-4-2-5-9-24)28-20-25-14-18-33(16-6-3-7-17-33)41-29(25)22-30(28)40-32/h2,4-5,8-13,20-22,34H,3,6-7,14-19H2,1H3,(H,35,37)

InChI Key

AQPUMQNHSVOAOU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.750

Distribution Coefficient, logD

6.748

Water Solubility, LogSw

-5.58

Polar Surface Area

90.333

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y041-3676 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y041-3676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3676?
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What is the minimum amount of Y041-3676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3676
  • 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 Y041-3676 available by request