K781-9372 Screening compound: 2-fluoro-N-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

K781-9372 Screening compound: 2-fluoro-N-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
K781-9372 Screening compound: 2-fluoro-N-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-9372
2-fluoro-N-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

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

K781-9372

Molecular Formula

C23H21FN2O4S (C23 H21 FN2 O4 S)

Compound Name

2-fluoro-N-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

IUPAC name

2-fluoro-N-(2-methoxyphenyl)-5-(1234-tetrahydroisoquinoline-2-sulfonyl)benzamide

SMILES

COc(cccc1)c1NC(c(cc(cc1)S(N(CC2)Cc3c2cccc3)(=O)=O)c1F)=O

InChI

InChI=1S/C23H21FN2O4S/c1-30-22-9-5-4-8-21(22)25-23(27)19-14-18(10-11-20(19)24)31(28,29)26-13-12-16-6-2-3-7-17(16)15-26/h2-11,14H,12-13,15H2,1H3,(H,25,27)

InChI Key

LMPYMSATIIMFDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04422091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.25

Polar Surface Area

61.635

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with K781-9372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-9372?
Check Price and Availability of K781-9372, 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 K781-9372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-9372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-9372
  • 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 K781-9372 available by request