Y501-6669 Screening compound: ethyl 2-[({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Y501-6669 Screening compound: ethyl 2-[({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Y501-6669 Screening compound: ethyl 2-[({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-6669
ethyl 2-[({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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

Y501-6669

Molecular Formula

C23H26N2O5S (C23 H26 N2 O5 S)

Compound Name

ethyl 2-[({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-{5-[(35-dimethyl-12-oxazol-4-yl)methyl]furan-2-amido}-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2ccc(Cc3c(C)onc3C)o2)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C23H26N2O5S/c1-4-28-23(27)20-16-8-6-5-7-9-19(16)31-22(20)24-21(26)18-11-10-15(29-18)12-17-13(2)25-30-14(17)3/h10-11H,4-9,12H2,1-3H3,(H,24,26)

InChI Key

KURLWCGYGJZOAV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.107

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-4.91

Polar Surface Area

73.737

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

References: we are preparing a list of scientific research reports with Y501-6669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-6669?
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What is the minimum amount of Y501-6669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-6669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-6669
  • 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 Y501-6669 available by request