C200-1856 Screening compound: ethyl 2-{[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino}benzoate

C200-1856 Screening compound: ethyl 2-{[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino}benzoate
C200-1856 Screening compound: ethyl 2-{[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1856
ethyl 2-{[4-(furan-2-carbonyl)piperazine-1-carbothioyl]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

C200-1856

Molecular Formula

C19H21N3O4S (C19 H21 N3 O4 S)

Compound Name

ethyl 2-{[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino}benzoate

IUPAC name

ethyl 2-{[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino}benzoate

SMILES

CCOC(c(cccc1)c1NC(N(CC1)CCN1C(c1ccco1)=O)=S)=O

InChI

InChI=1S/C19H21N3O4S/c1-2-25-18(24)14-6-3-4-7-15(14)20-19(27)22-11-9-21(10-12-22)17(23)16-8-5-13-26-16/h3-8,13H,2,9-12H2,1H3,(H,20,27)

InChI Key

XNJCDJLFZAXYGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.48

Polar Surface Area

56.227

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C200-1856 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C200-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1856?
Check Price and Availability of C200-1856, 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 C200-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1856
  • 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 C200-1856 available by request