C200-1648 Screening compound: 1,4-dimethyl 2-{[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate

C200-1648 Screening compound: 1,4-dimethyl 2-{[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
C200-1648 Screening compound: 1,4-dimethyl 2-{[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1648
1,4-dimethyl 2-{[4-(4-nitrophenyl)piperazine-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

C200-1648

Molecular Formula

C21H22N4O6S (C21 H22 N4 O6 S)

Compound Name

1,4-dimethyl 2-{[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-{[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino}benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=S)c1C(OC)=O)=O

InChI

InChI=1S/C21H22N4O6S/c1-30-19(26)14-3-8-17(20(27)31-2)18(13-14)22-21(32)24-11-9-23(10-12-24)15-4-6-16(7-5-15)25(28)29/h3-8,13H,9-12H2,1-2H3,(H,22,32)

InChI Key

AASYVDHVKBEVNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

4.067

Water Solubility, LogSw

-4.21

Polar Surface Area

89.428

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C200-1648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1648?
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What is the minimum amount of C200-1648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1648
  • 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 C200-1648 available by request