6143-0164 Screening compound: methyl 4-[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-amido]benzoate

6143-0164 Screening compound: methyl 4-[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-amido]benzoate
6143-0164 Screening compound: methyl 4-[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6143-0164
methyl 4-[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-amido]benzoate

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

6143-0164

Molecular Formula

C22H20N2O5S2 (C22 H20 N2 O5 S2)

Compound Name

methyl 4-[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-amido]benzoate

IUPAC name

methyl 4-[2-(thiophene-2-sulfonyl)-1234-tetrahydroisoquinoline-3-amido]benzoate

SMILES

COC(c(cc1)ccc1NC(C(Cc1c(C2)cccc1)N2S(c1cccs1)(=O)=O)=O)=O

InChI

InChI=1S/C22H20N2O5S2/c1-29-22(26)15-8-10-18(11-9-15)23-21(25)19-13-16-5-2-3-6-17(16)14-24(19)31(27,28)20-7-4-12-30-20/h2-12,19H,13-14H2,1H3,(H,23,25)/t19-/m0/s1

InChI Key

WLHDPJUEOKTQKY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03477078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.057

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.19

Polar Surface Area

77.366

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

6143-0164 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 6143-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6143-0164?
Check Price and Availability of 6143-0164, 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 6143-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6143-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6143-0164
  • 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 6143-0164 available by request