F857-0075 Screening compound: 1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

F857-0075 Screening compound: 1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
F857-0075 Screening compound: 1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F857-0075
1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-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

F857-0075

Molecular Formula

C20H25N5O5S (C20 H25 N5 O5 S)

Compound Name

1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

IUPAC name

1-{[1-(2-methoxyethyl)-1H-123-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

SMILES

Cc1ccc(CNC(C(CCC2)N2S(c(cc2)cc3c2n(CCOC)nn3)(=O)=O)=O)o1

InChI

InChI=1S/C20H25N5O5S/c1-14-5-6-15(30-14)13-21-20(26)19-4-3-9-25(19)31(27,28)16-7-8-18-17(12-16)22-23-24(18)10-11-29-2/h5-8,12,19H,3-4,9-11,13H2,1-2H3,(H,21,26)/t19-/m0/s1

InChI Key

NDIRXLCESMOGPJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14968261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.245

Distribution Coefficient, logD

1.245

Water Solubility, LogSw

-2.42

Polar Surface Area

98.481

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

F857-0075 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F857-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F857-0075?
Check Price and Availability of F857-0075, 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 F857-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F857-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F857-0075
  • 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 F857-0075 available by request