C200-1866 Screening compound: methyl 3-{[butyl(methyl)carbamothioyl]amino}thiophene-2-carboxylate

C200-1866 Screening compound: methyl 3-{[butyl(methyl)carbamothioyl]amino}thiophene-2-carboxylate
C200-1866 Screening compound: methyl 3-{[butyl(methyl)carbamothioyl]amino}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1866
methyl 3-{[butyl(methyl)carbamothioyl]amino}thiophene-2-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

C200-1866

Molecular Formula

C12H18N2O2S2 (C12 H18 N2 O2 S2)

Compound Name

methyl 3-{[butyl(methyl)carbamothioyl]amino}thiophene-2-carboxylate

IUPAC name

methyl 3-{[butyl(methyl)carbamothioyl]amino}thiophene-2-carboxylate

SMILES

CCCCN(C)C(Nc1c(C(OC)=O)scc1)=S

InChI

InChI=1S/C12H18N2O2S2/c1-4-5-7-14(2)12(17)13-9-6-8-18-10(9)11(15)16-3/h6,8H,4-5,7H2,1-3H3,(H,13,17)

InChI Key

YNBOOAKXXNVRLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.33

Polar Surface Area

32.383

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C200-1866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1866?
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What is the minimum amount of C200-1866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1866
  • 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 C200-1866 available by request