F857-0290 Screening compound: N-[(4-methylphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxamide

F857-0290 Screening compound: N-[(4-methylphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxamide
F857-0290 Screening compound: N-[(4-methylphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F857-0290
N-[(4-methylphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}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

F857-0290

Molecular Formula

C22H27N5O3S (C22 H27 N5 O3 S)

Compound Name

N-[(4-methylphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-1-{[1-(propan-2-yl)-1H-123-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxamide

SMILES

CC(C)n1nnc2c1ccc(S(N(CCC1)C1C(NCc1ccc(C)cc1)=O)(=O)=O)c2

InChI

InChI=1S/C22H27N5O3S/c1-15(2)27-20-11-10-18(13-19(20)24-25-27)31(29,30)26-12-4-5-21(26)22(28)23-14-17-8-6-16(3)7-9-17/h6-11,13,15,21H,4-5,12,14H2,1-3H3,(H,23,28)/t21-/m0/s1

InChI Key

PNLJNNOLDKEIJY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27200148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-2.95

Polar Surface Area

83.365

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

F857-0290 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F857-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F857-0290?
Check Price and Availability of F857-0290, 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 F857-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F857-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F857-0290
  • 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 F857-0290 available by request