R152-1145 Screening compound: ethyl 2-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetate

R152-1145 Screening compound: ethyl 2-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetate
R152-1145 Screening compound: ethyl 2-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound R152-1145
ethyl 2-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)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

R152-1145

Molecular Formula

C17H27N3O2S2 (C17 H27 N3 O2 S2)

Compound Name

ethyl 2-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetate

IUPAC name

ethyl 2-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetate

SMILES

CCOC(CNC(N(CCCN1CCCC1)Cc1cccs1)=S)=O

InChI

InChI=1S/C17H27N3O2S2/c1-2-22-16(21)13-18-17(23)20(14-15-7-5-12-24-15)11-6-10-19-8-3-4-9-19/h5,7,12H,2-4,6,8-11,13-14H2,1H3,(H,18,23)

InChI Key

DSDHEVYFZGCHJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.687

Distribution Coefficient, logD

0.190

Water Solubility, LogSw

-2.78

Polar Surface Area

37.526

Acid Dissociation Constant (pKa)

16.43

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

R152-1145 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 R152-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R152-1145?
Check Price and Availability of R152-1145, 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 R152-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R152-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R152-1145
  • 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 R152-1145 available by request