Y010-1938 Screening compound: (4-benzylpiperidino)(1-benzyl-1H-1,2,3-triazol-4-yl)methanethione

Y010-1938 Screening compound: (4-benzylpiperidino)(1-benzyl-1H-1,2,3-triazol-4-yl)methanethione
Y010-1938 Screening compound: (4-benzylpiperidino)(1-benzyl-1H-1,2,3-triazol-4-yl)methanethione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1938
(4-benzylpiperidino)(1-benzyl-1H-1,2,3-triazol-4-yl)methanethione

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

Y010-1938

Molecular Formula

C22H24N4S (C22 H24 N4 S)

Compound Name

(4-benzylpiperidino)(1-benzyl-1H-1,2,3-triazol-4-yl)methanethione

IUPAC name

4-benzyl-1-(1-benzyl-1H-123-triazole-4-carbothioyl)piperidine

SMILES

S=C(c1cn(Cc2ccccc2)nn1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C22H24N4S/c27-22(21-17-26(24-23-21)16-20-9-5-2-6-10-20)25-13-11-19(12-14-25)15-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2

InChI Key

RJJYYYYDPYKTHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06242906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.901

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-4.73

Polar Surface Area

28.428

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

Y010-1938 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1938?
Check Price and Availability of Y010-1938, 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 Y010-1938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1938
  • 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 Y010-1938 available by request