D717-0176 Screening compound: 7-(DIFLUOROMETHYL)-5-METHYL-N2-[4-(1-PYRROLIDINYLSULFONYL)PHENYL][1

D717-0176 Screening compound: 7-(DIFLUOROMETHYL)-5-METHYL-N2-[4-(1-PYRROLIDINYLSULFONYL)PHENYL][1
D717-0176 Screening compound: 7-(DIFLUOROMETHYL)-5-METHYL-N2-[4-(1-PYRROLIDINYLSULFONYL)PHENYL][1 alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0176
7-(DIFLUOROMETHYL)-5-METHYL-N2-[4-(1-PYRROLIDINYLSULFONYL)PHENYL][1

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

D717-0176

Molecular Formula

C18H18F2N6O3S (C18 H18 F2 N6 O3 S)

Compound Name

7-(DIFLUOROMETHYL)-5-METHYL-N2-[4-(1-PYRROLIDINYLSULFONYL)PHENYL][1

IUPAC name

n/a

SMILES

Cc1nc2nc(C(Nc(cc3)ccc3S(N3CCCC3)(=O)=O)=O)nn2c(C(F)F)c1

InChI

InChI=1S/C18H18F2N6O3S/c1-11-10-14(15(19)20)26-18(21-11)23-16(24-26)17(27)22-12-4-6-13(7-5-12)30(28,29)25-8-2-3-9-25/h4-7,10,15H,2-3,8-9H2,1H3,(H,22,27)

InChI Key

KFQMKDQUCGLGGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02243818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.625

Distribution Coefficient, logD

1.622

Water Solubility, LogSw

-2.65

Polar Surface Area

85.027

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

D717-0176 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D717-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0176?
Check Price and Availability of D717-0176, 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 D717-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0176
  • 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 D717-0176 available by request