1988-1057 Screening compound: N-[(cyclohexylcarbamothioyl)amino]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

1988-1057 Screening compound: N-[(cyclohexylcarbamothioyl)amino]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
1988-1057 Screening compound: N-[(cyclohexylcarbamothioyl)amino]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1057
N-[(cyclohexylcarbamothioyl)amino]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

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

1988-1057

Molecular Formula

C19H29N3O2S (C19 H29 N3 O2 S)

Compound Name

N-[(cyclohexylcarbamothioyl)amino]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

IUPAC name

N-[(cyclohexylcarbamothioyl)amino]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(NNC(NC1CCCCC1)=S)=O

InChI

InChI=1S/C19H29N3O2S/c1-13(2)16-10-9-14(3)11-17(16)24-12-18(23)21-22-19(25)20-15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,21,23)(H2,20,22,25)

InChI Key

KLJFTKRREKLBSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01181413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.33

Polar Surface Area

55.586

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

1988-1057 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1988-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-1057?
Check Price and Availability of 1988-1057, 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 1988-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1057
  • 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 1988-1057 available by request