C199-0073 Screening compound: 6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-N-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

C199-0073 Screening compound: 6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-N-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide
C199-0073 Screening compound: 6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-N-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C199-0073
6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-N-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

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

C199-0073

Molecular Formula

C29H28N2O5S (C29 H28 N2 O5 S)

Compound Name

6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-N-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

IUPAC name

67-dimethoxy-1-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-N-phenyl-1234-tetrahydroisoquinoline-2-carbothioamide

SMILES

CC(c(ccc(OCC(c(cc1OC)c(CC2)cc1OC)N2C(Nc1ccccc1)=S)c1)c1O1)=CC1=O

InChI

InChI=1S/C29H28N2O5S/c1-18-13-28(32)36-25-15-21(9-10-22(18)25)35-17-24-23-16-27(34-3)26(33-2)14-19(23)11-12-31(24)29(37)30-20-7-5-4-6-8-20/h4-10,13-16,24H,11-12,17H2,1-3H3,(H,30,37)/t24-/m0/s1

InChI Key

CHXKRFAIHZFYJF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04414578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.668

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.45

Polar Surface Area

53.231

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

C199-0073 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C199-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C199-0073?
Check Price and Availability of C199-0073, 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 C199-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C199-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C199-0073
  • 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 C199-0073 available by request