C200-1772 Screening compound: 1,4-dimethyl 2-({4'-carbamoyl-[1,4'-bipiperidine]-1'-carbothioyl}amino)benzene-1,4-dicarboxylate

C200-1772 Screening compound: 1,4-dimethyl 2-({4'-carbamoyl-[1,4'-bipiperidine]-1'-carbothioyl}amino)benzene-1,4-dicarboxylate
C200-1772 Screening compound: 1,4-dimethyl 2-({4'-carbamoyl-[1,4'-bipiperidine]-1'-carbothioyl}amino)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1772
1,4-dimethyl 2-({4'-carbamoyl-[1,4'-bipiperidine]-1'-carbothioyl}amino)benzene-1,4-dicarboxylate

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

C200-1772

Molecular Formula

C22H30N4O5S (C22 H30 N4 O5 S)

Compound Name

1,4-dimethyl 2-({4'-carbamoyl-[1,4'-bipiperidine]-1'-carbothioyl}amino)benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-({4'-carbamoyl-[14'-bipiperidine]-1'-carbothioyl}amino)benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(N(CC2)CCC2(C(N)=O)N2CCCCC2)=S)c1C(OC)=O)=O

InChI

InChI=1S/C22H30N4O5S/c1-30-18(27)15-6-7-16(19(28)31-2)17(14-15)24-21(32)25-12-8-22(9-13-25,20(23)29)26-10-4-3-5-11-26/h6-7,14H,3-5,8-13H2,1-2H3,(H2,23,29)(H,24,32)

InChI Key

CNEDVJAJUANQSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06150122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.064

Water Solubility, LogSw

-3.45

Polar Surface Area

89.922

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with C200-1772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1772?
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What is the minimum amount of C200-1772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1772
  • 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 C200-1772 available by request