4777-0451 Screening compound: N~1~-(4-fluorophenyl)-4-(2-hydroxyethyl)tetrahydro-1(2H)-pyrazinecarbothioamide

4777-0451 Screening compound: N~1~-(4-fluorophenyl)-4-(2-hydroxyethyl)tetrahydro-1(2H)-pyrazinecarbothioamide
4777-0451 Screening compound: N~1~-(4-fluorophenyl)-4-(2-hydroxyethyl)tetrahydro-1(2H)-pyrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4777-0451
N~1~-(4-fluorophenyl)-4-(2-hydroxyethyl)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

4777-0451

Molecular Formula

C13H18FN3OS (C13 H18 FN3 OS)

Compound Name

N~1~-(4-fluorophenyl)-4-(2-hydroxyethyl)tetrahydro-1(2H)-pyrazinecarbothioamide

IUPAC name

N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide

SMILES

OCCN(CC1)CCN1C(Nc(cc1)ccc1F)=S

InChI

InChI=1S/C13H18FN3OS/c14-11-1-3-12(4-2-11)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)

InChI Key

OUYUUTKJYPKMDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02828080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.615

Distribution Coefficient, logD

1.262

Water Solubility, LogSw

-1.78

Polar Surface Area

31.583

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

4777-0451 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4777-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4777-0451?
Check Price and Availability of 4777-0451, 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 4777-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4777-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4777-0451
  • 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 4777-0451 available by request