F858-0072 Screening compound: 1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]piperidine-2-carboxamide

F858-0072 Screening compound: 1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]piperidine-2-carboxamide
F858-0072 Screening compound: 1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]piperidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F858-0072
1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(5-methylfuran-2-yl)methyl]piperidine-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

F858-0072

Molecular Formula

C21H27N5O5S (C21 H27 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(C(CCCC2)N2S(c(cc2)cc3c2n(CCOC)nn3)(=O)=O)=O)o1

InChI

InChI=1S/C21H27N5O5S/c1-15-6-7-16(31-15)14-22-21(27)20-5-3-4-10-26(20)32(28,29)17-8-9-19-18(13-17)23-24-25(19)11-12-30-2/h6-9,13,20H,3-5,10-12,14H2,1-2H3,(H,22,27)/t20-/m0/s1

InChI Key

TXYCQUKEBRMSBK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14968275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

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

1.814

Distribution Coefficient, logD

1.814

Water Solubility, LogSw

-2.64

Polar Surface Area

98.115

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

F858-0072 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F858-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F858-0072?
Check Price and Availability of F858-0072, 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 F858-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F858-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F858-0072
  • 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 F858-0072 available by request