Y205-9395 Screening compound: N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetamide

Y205-9395 Screening compound: N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetamide
Y205-9395 Screening compound: N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-9395
N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetamide

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

Y205-9395

Molecular Formula

C14H16N6OS2 (C14 H16 N6 OS2)

Compound Name

N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetamide

IUPAC name

N-(3-cyano-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamide

SMILES

CC(CC1)Cc2c1c(C#N)c(NC(CSc1nnnn1C)=O)s2

InChI

InChI=1S/C14H16N6OS2/c1-8-3-4-9-10(6-15)13(23-11(9)5-8)16-12(21)7-22-14-17-18-19-20(14)2/h8H,3-5,7H2,1-2H3,(H,16,21)/t8-/m1/s1

InChI Key

ZNEWHPVUVNPNST-MRVPVSSYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.217

Distribution Coefficient, logD

1.136

Water Solubility, LogSw

-2.50

Polar Surface Area

80.231

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with Y205-9395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-9395?
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What is the minimum amount of Y205-9395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-9395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-9395
  • 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 Y205-9395 available by request