D715-2124 Screening compound: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-4-fluorobenzamide

D715-2124 Screening compound: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-4-fluorobenzamide
D715-2124 Screening compound: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-2124
N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-4-fluorobenzamide

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

D715-2124

Molecular Formula

C22H21FN2O3S (C22 H21 FN2 O3 S)

Compound Name

N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-4-fluorobenzamide

IUPAC name

N-[3-(benzenesulfonyl)-45-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-4-fluorobenzamide

SMILES

Cc1c(C)n(CC=C)c(NC(c(cc2)ccc2F)=O)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C22H21FN2O3S/c1-4-14-25-16(3)15(2)20(29(27,28)19-8-6-5-7-9-19)21(25)24-22(26)17-10-12-18(23)13-11-17/h4-13H,1,14H2,2-3H3,(H,24,26)

InChI Key

FCTTWMMEMGMJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12203867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.924

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-4.06

Polar Surface Area

54.450

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D715-2124 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D715-2124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-2124?
Check Price and Availability of D715-2124, 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 D715-2124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-2124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-2124
  • 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 D715-2124 available by request