Y600-1131 Screening compound: N-(4-anilinophenyl)-4-(5-chloro-2-methylphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide

Y600-1131 Screening compound: N-(4-anilinophenyl)-4-(5-chloro-2-methylphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide
Y600-1131 Screening compound: N-(4-anilinophenyl)-4-(5-chloro-2-methylphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1131
N-(4-anilinophenyl)-4-(5-chloro-2-methylphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide

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

Y600-1131

Molecular Formula

C24H25ClN4S (C24 H25 ClN4 S)

Compound Name

N-(4-anilinophenyl)-4-(5-chloro-2-methylphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide

IUPAC name

4-(5-chloro-2-methylphenyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(Nc(cc1)ccc1Nc1ccccc1)=S

InChI

InChI=1S/C24H25ClN4S/c1-18-7-8-19(25)17-23(18)28-13-15-29(16-14-28)24(30)27-22-11-9-21(10-12-22)26-20-5-3-2-4-6-20/h2-12,17,26H,13-16H2,1H3,(H,27,30)

InChI Key

GCSGLQVENNPJRG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.01

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.454

Distribution Coefficient, logD

6.453

Water Solubility, LogSw

-6.35

Polar Surface Area

23.009

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

Y600-1131 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 Y600-1131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1131?
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What is the minimum amount of Y600-1131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1131
  • 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 Y600-1131 available by request