Y501-8662 Screening compound: methyl 2-[(2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y501-8662 Screening compound: methyl 2-[(2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Structure Depiction of ChemDiv screening compound Y501-8662
methyl 2-[(2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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

Y501-8662

Molecular Formula

C26H27ClN6O4S2 (C26 H27 ClN6 O4 S2)

Compound Name

methyl 2-[(2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-(2-{[5-(4-chloro-15-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

Cc(n(C)nc1-c(n2-c(cccc3)c3OC)nnc2SCC(Nc2c(C(OC)=O)c(CCCC3)c3s2)=O)c1Cl

InChI

InChI=1S/C26H27ClN6O4S2/c1-14-21(27)22(31-32(14)2)23-29-30-26(33(23)16-10-6-7-11-17(16)36-3)38-13-19(34)28-24-20(25(35)37-4)15-9-5-8-12-18(15)39-24/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H,28,34)

InChI Key

AZFAFYWUFNAGBH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.12

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-4.91

Polar Surface Area

91.113

Acid Dissociation Constant (pKa)

5.44

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.62

References: we are preparing a list of scientific research reports with Y501-8662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8662?
Check Price and Availability of Y501-8662, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y501-8662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8662
  • 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 Y501-8662 available by request