C087-0140 Screening compound: ethyl 4-({[2-(dimethylamino)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate

C087-0140 Screening compound: ethyl 4-({[2-(dimethylamino)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
C087-0140 Screening compound: ethyl 4-({[2-(dimethylamino)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0140
ethyl 4-({[2-(dimethylamino)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate

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

C087-0140

Molecular Formula

C19H25N3O2S2 (C19 H25 N3 O2 S2)

Compound Name

ethyl 4-({[2-(dimethylamino)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate

IUPAC name

ethyl 4-({[2-(dimethylamino)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CCN(C)C)Cc1cccs1)=S)=O

InChI

InChI=1S/C19H25N3O2S2/c1-4-24-18(23)15-7-9-16(10-8-15)20-19(25)22(12-11-21(2)3)14-17-6-5-13-26-17/h5-10,13H,4,11-12,14H2,1-3H3,(H,20,25)

InChI Key

HUSBTGWYEQTSSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-3.93

Polar Surface Area

36.316

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C087-0140 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C087-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0140?
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What is the minimum amount of C087-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0140
  • 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 C087-0140 available by request