C301-5091 Screening compound: ethyl 4-{3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}piperidine-1-carboxylate

C301-5091 Screening compound: ethyl 4-{3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}piperidine-1-carboxylate
C301-5091 Screening compound: ethyl 4-{3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5091
ethyl 4-{3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}piperidine-1-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

C301-5091

Molecular Formula

C16H22N4O5S2 (C16 H22 N4 O5 S2)

Compound Name

ethyl 4-{3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}piperidine-1-carboxylate

IUPAC name

ethyl 4-{37-dimethyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-sulfonamido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NS(C1=C(C)N=C2SC=C(C)N2C1=O)(=O)=O)=O

InChI

InChI=1S/C16H22N4O5S2/c1-4-25-16(22)19-7-5-12(6-8-19)18-27(23,24)13-11(3)17-15-20(14(13)21)10(2)9-26-15/h9,12,18H,4-8H2,1-3H3

InChI Key

FYKLQLXZTWOLEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.861

Distribution Coefficient, logD

0.861

Water Solubility, LogSw

-2.04

Polar Surface Area

89.247

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

C301-5091 in Drug Discovery

Included in Screening Libraries

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 C301-5091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5091?
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What is the minimum amount of C301-5091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5091
  • 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 C301-5091 available by request