F065-0401 Screening compound: ethyl 1-methyl-4-({2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

F065-0401 Screening compound: ethyl 1-methyl-4-({2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate
F065-0401 Screening compound: ethyl 1-methyl-4-({2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0401
ethyl 1-methyl-4-({2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

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

F065-0401

Molecular Formula

C17H22N4O5S2 (C17 H22 N4 O5 S2)

Compound Name

ethyl 1-methyl-4-({2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 1-methyl-4-({2-[(4-methyl-13-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1cc(S(N(CCC2)C2C(Nc2nc(C)cs2)=O)(=O)=O)cn1C)=O

InChI

InChI=1S/C17H22N4O5S2/c1-4-26-16(23)14-8-12(9-20(14)3)28(24,25)21-7-5-6-13(21)15(22)19-17-18-11(2)10-27-17/h8-10,13H,4-7H2,1-3H3,(H,18,19,22)/t13-/m0/s1

InChI Key

GWUCKBQIIVBGBY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14938843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.426

Distribution Coefficient, logD

1.288

Water Solubility, LogSw

-2.42

Polar Surface Area

88.794

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

F065-0401 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F065-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0401?
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What is the minimum amount of F065-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0401
  • 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 F065-0401 available by request