C200-1180 Screening compound: methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate

C200-1180 Screening compound: methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
C200-1180 Screening compound: methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1180
methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate

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

C200-1180

Molecular Formula

C12H11BrN4O2S (C12 H11 BrN4 O2 S)

Compound Name

methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate

IUPAC name

methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate

SMILES

COC(c1c(NC(Nc(cc2)ccc2Br)=S)[nH]nc1)=O

InChI

InChI=1S/C12H11BrN4O2S/c1-19-11(18)9-6-14-17-10(9)16-12(20)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H3,14,15,16,17,20)

InChI Key

MPTGDDIPHHYODF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.55

Polar Surface Area

64.566

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C200-1180 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1180?
Check Price and Availability of C200-1180, 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 C200-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1180
  • 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 C200-1180 available by request