8601-0076 Screening compound: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N~2~-(1,3-thiazol-2-yl)-2-pyrrolidinecarboxamide

8601-0076 Screening compound: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N~2~-(1,3-thiazol-2-yl)-2-pyrrolidinecarboxamide
8601-0076 Screening compound: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N~2~-(1,3-thiazol-2-yl)-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8601-0076
1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N~2~-(1,3-thiazol-2-yl)-2-pyrrolidinecarboxamide

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

8601-0076

Molecular Formula

C13H16N4O4S2 (C13 H16 N4 O4 S2)

Compound Name

1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N~2~-(1,3-thiazol-2-yl)-2-pyrrolidinecarboxamide

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-N-(13-thiazol-2-yl)pyrrolidine-2-carboxamide

SMILES

Cc1noc(C)c1S(N(CCC1)C1C(Nc1nccs1)=O)(=O)=O

InChI

InChI=1S/C13H16N4O4S2/c1-8-11(9(2)21-16-8)23(19,20)17-6-3-4-10(17)12(18)15-13-14-5-7-22-13/h5,7,10H,3-4,6H2,1-2H3,(H,14,15,18)/t10-/m0/s1

InChI Key

RDLRVEBACNLRHC-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06791518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.680

Distribution Coefficient, logD

0.667

Water Solubility, LogSw

-2.06

Polar Surface Area

88.394

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

8601-0076 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

CNS MPO Library (28609 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8601-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8601-0076?
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What is the minimum amount of 8601-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8601-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8601-0076
  • 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 8601-0076 available by request