8017-0737 Screening compound: 3-hydroxy-N~1~-phenethyl-1-benzenecarbothioamide

8017-0737 Screening compound: 3-hydroxy-N~1~-phenethyl-1-benzenecarbothioamide
8017-0737 Screening compound: 3-hydroxy-N~1~-phenethyl-1-benzenecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0737
3-hydroxy-N~1~-phenethyl-1-benzenecarbothioamide

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

8017-0737

Molecular Formula

C15H15NOS (C15 H15 NOS)

Compound Name

3-hydroxy-N~1~-phenethyl-1-benzenecarbothioamide

IUPAC name

n/a

SMILES

Oc1cccc(C(NCCc2ccccc2)=S)c1

InChI

InChI=1S/C15H15NOS/c17-14-8-4-7-13(11-14)15(18)16-10-9-12-5-2-1-3-6-12/h1-8,11,17H,9-10H2,(H,16,18)

InChI Key

GPGIOSJNLJQNKD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.01

Polar Surface Area

28.501

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 8017-0737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0737?
Check Price and Availability of 8017-0737, 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 8017-0737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0737
  • 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 8017-0737 available by request