8015-1207 Screening compound: N~1~,N~4~-bis(4-acetylphenyl)-2-methyltetrahydro-1,4-pyrazinedicarbothioamide

8015-1207 Screening compound: N~1~,N~4~-bis(4-acetylphenyl)-2-methyltetrahydro-1,4-pyrazinedicarbothioamide
8015-1207 Screening compound: N~1~,N~4~-bis(4-acetylphenyl)-2-methyltetrahydro-1,4-pyrazinedicarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1207
N~1~,N~4~-bis(4-acetylphenyl)-2-methyltetrahydro-1,4-pyrazinedicarbothioamide

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

8015-1207

Molecular Formula

C23H26N4O2S2 (C23 H26 N4 O2 S2)

Compound Name

N~1~,N~4~-bis(4-acetylphenyl)-2-methyltetrahydro-1,4-pyrazinedicarbothioamide

IUPAC name

N1N4-bis(4-acetylphenyl)-2-methylpiperazine-14-dicarbothioamide

SMILES

CC(CN(CC1)C(Nc(cc2)ccc2C(C)=O)=S)N1C(Nc(cc1)ccc1C(C)=O)=S

InChI

InChI=1S/C23H26N4O2S2/c1-15-14-26(22(30)24-20-8-4-18(5-9-20)16(2)28)12-13-27(15)23(31)25-21-10-6-19(7-11-21)17(3)29/h4-11,15H,12-14H2,1-3H3,(H,24,30)(H,25,31)/t15-/m0/s1

InChI Key

ZKYXVFYXPUCHBK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03760508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.66

Polar Surface Area

48.715

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8015-1207 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 8015-1207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1207?
Check Price and Availability of 8015-1207, 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 8015-1207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1207
  • 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 8015-1207 available by request