C163-0046 Screening compound: 2,4-diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate

C163-0046 Screening compound: 2,4-diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
C163-0046 Screening compound: 2,4-diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0046
2,4-diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate

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

C163-0046

Molecular Formula

C19H23ClN4O7S (C19 H23 ClN4 O7 S)

Compound Name

2,4-diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(CCCn(c(C)c2Cl)nc2[N+]([O-])=O)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C19H23ClN4O7S/c1-5-30-18(26)13-10(3)15(19(27)31-6-2)32-17(13)21-12(25)8-7-9-23-11(4)14(20)16(22-23)24(28)29/h5-9H2,1-4H3,(H,21,25)

InChI Key

JCODPYNGHIBPGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.93

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

-0.171

Water Solubility, LogSw

-3.89

Polar Surface Area

111.687

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

C163-0046 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C163-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0046?
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What is the minimum amount of C163-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0046
  • 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 C163-0046 available by request