C200-1715 Screening compound: 1,4-dimethyl 2-[(1,2,3,4-tetrahydroisoquinoline-2-carbothioyl)amino]benzene-1,4-dicarboxylate

C200-1715 Screening compound: 1,4-dimethyl 2-[(1,2,3,4-tetrahydroisoquinoline-2-carbothioyl)amino]benzene-1,4-dicarboxylate
C200-1715 Screening compound: 1,4-dimethyl 2-[(1,2,3,4-tetrahydroisoquinoline-2-carbothioyl)amino]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1715
1,4-dimethyl 2-[(1,2,3,4-tetrahydroisoquinoline-2-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

C200-1715

Molecular Formula

C20H20N2O4S (C20 H20 N2 O4 S)

Compound Name

1,4-dimethyl 2-[(1,2,3,4-tetrahydroisoquinoline-2-carbothioyl)amino]benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-[(1234-tetrahydroisoquinoline-2-carbothioyl)amino]benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(N(CC2)Cc3c2cccc3)=S)c1C(OC)=O)=O

InChI

InChI=1S/C20H20N2O4S/c1-25-18(23)14-7-8-16(19(24)26-2)17(11-14)21-20(27)22-10-9-13-5-3-4-6-15(13)12-22/h3-8,11H,9-10,12H2,1-2H3,(H,21,27)

InChI Key

UBGLDMPBZOKFAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.20

Polar Surface Area

52.449

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C200-1715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1715?
Check Price and Availability of C200-1715, 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 C200-1715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1715
  • 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 C200-1715 available by request