K783-3853 Screening compound: ethyl 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetate

K783-3853 Screening compound: ethyl 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetate
K783-3853 Screening compound: ethyl 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3853
ethyl 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetate

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

K783-3853

Molecular Formula

C20H30N2O5S (C20 H30 N2 O5 S)

Compound Name

ethyl 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetate

IUPAC name

ethyl 2-({cyclopentyl[(345-trimethoxyphenyl)methyl]carbamothioyl}amino)acetate

SMILES

CCOC(CNC(N(Cc(cc1OC)cc(OC)c1OC)C1CCCC1)=S)=O

InChI

InChI=1S/C20H30N2O5S/c1-5-27-18(23)12-21-20(28)22(15-8-6-7-9-15)13-14-10-16(24-2)19(26-4)17(11-14)25-3/h10-11,15H,5-9,12-13H2,1-4H3,(H,21,28)

InChI Key

CVGKKPGYOTZYNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.24

Polar Surface Area

54.769

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

K783-3853 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K783-3853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3853?
Check Price and Availability of K783-3853, 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 K783-3853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3853
  • 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 K783-3853 available by request