D048-0012 Screening compound: N-(4-acetamidophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

D048-0012 Screening compound: N-(4-acetamidophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
D048-0012 Screening compound: N-(4-acetamidophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0012
N-(4-acetamidophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

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

D048-0012

Molecular Formula

C24H22FN3O4S (C24 H22 FN3 O4 S)

Compound Name

N-(4-acetamidophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

N-(4-acetamidophenyl)-2-(4-fluorobenzenesulfonyl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CC(Nc(cc1)ccc1NC(C(Cc1c(C2)cccc1)N2S(c(cc1)ccc1F)(=O)=O)=O)=O

InChI

InChI=1S/C24H22FN3O4S/c1-16(29)26-20-8-10-21(11-9-20)27-24(30)23-14-17-4-2-3-5-18(17)15-28(23)33(31,32)22-12-6-19(25)7-13-22/h2-13,23H,14-15H2,1H3,(H,26,29)(H,27,30)/t23-/m0/s1

InChI Key

FLXHVSALWBYYII-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03653370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.77

Polar Surface Area

78.435

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D048-0012 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D048-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0012?
Check Price and Availability of D048-0012, 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 D048-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0012
  • 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 D048-0012 available by request