E690-0712 Screening compound: N-benzyl-2-{3-[(4-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamide

E690-0712 Screening compound: N-benzyl-2-{3-[(4-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamide
E690-0712 Screening compound: N-benzyl-2-{3-[(4-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E690-0712
N-benzyl-2-{3-[(4-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamide

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

E690-0712

Molecular Formula

C24H21FN2O3S (C24 H21 FN2 O3 S)

Compound Name

N-benzyl-2-{3-[(4-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamide

IUPAC name

N-benzyl-2-{3-[(4-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamide

SMILES

O=C(Cn1c(cccc2)c2c(S(Cc(cc2)ccc2F)(=O)=O)c1)NCc1ccccc1

InChI

InChI=1S/C24H21FN2O3S/c25-20-12-10-19(11-13-20)17-31(29,30)23-15-27(22-9-5-4-8-21(22)23)16-24(28)26-14-18-6-2-1-3-7-18/h1-13,15H,14,16-17H2,(H,26,28)

InChI Key

HBLFWJHMJBOAAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06707311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-3.63

Polar Surface Area

55.207

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E690-0712 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E690-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E690-0712?
Check Price and Availability of E690-0712, 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 E690-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E690-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E690-0712
  • 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 E690-0712 available by request