Y501-9507 Screening compound: ethyl 4,5-dimethyl-2-[(2-{[5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate

Y501-9507 Screening compound: ethyl 4,5-dimethyl-2-[(2-{[5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate
Y501-9507 Screening compound: ethyl 4,5-dimethyl-2-[(2-{[5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9507
ethyl 4,5-dimethyl-2-[(2-{[5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate

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

Y501-9507

Molecular Formula

C23H30N6O4S2 (C23 H30 N6 O4 S2)

Compound Name

ethyl 4,5-dimethyl-2-[(2-{[5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate

IUPAC name

ethyl 45-dimethyl-2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-[(oxolan-2-yl)methyl]-4H-124-triazol-3-yl}sulfanyl)acetamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc(Cn3nc(C)cc3)n2CC2OCCC2)=O)sc(C)c1C)=O

InChI

InChI=1S/C23H30N6O4S2/c1-5-32-22(31)20-15(3)16(4)35-21(20)24-19(30)13-34-23-26-25-18(12-28-9-8-14(2)27-28)29(23)11-17-7-6-10-33-17/h8-9,17H,5-7,10-13H2,1-4H3,(H,24,30)/t17-/m1/s1

InChI Key

VFMXMLBYDNYUKP-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.020

Distribution Coefficient, logD

-0.072

Water Solubility, LogSw

-2.52

Polar Surface Area

91.764

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

References: we are preparing a list of scientific research reports with Y501-9507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9507?
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What is the minimum amount of Y501-9507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9507
  • 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 Y501-9507 available by request