8015-2289 Screening compound: 4-(4-hydroxyphenyl)-N~1~-(3-methoxyphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide

8015-2289 Screening compound: 4-(4-hydroxyphenyl)-N~1~-(3-methoxyphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide
8015-2289 Screening compound: 4-(4-hydroxyphenyl)-N~1~-(3-methoxyphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2289
4-(4-hydroxyphenyl)-N~1~-(3-methoxyphenyl)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

8015-2289

Molecular Formula

C18H21N3O2S (C18 H21 N3 O2 S)

Compound Name

4-(4-hydroxyphenyl)-N~1~-(3-methoxyphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide

IUPAC name

4-(4-hydroxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide

SMILES

COc1cccc(NC(N(CC2)CCN2c(cc2)ccc2O)=S)c1

InChI

InChI=1S/C18H21N3O2S/c1-23-17-4-2-3-14(13-17)19-18(24)21-11-9-20(10-12-21)15-5-7-16(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,24)

InChI Key

XIZAOROGSWBANR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.374

Water Solubility, LogSw

-3.73

Polar Surface Area

39.558

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

8015-2289 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-2289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2289?
Check Price and Availability of 8015-2289, 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 8015-2289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2289
  • 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 8015-2289 available by request