P014-0199 Screening compound: methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate

P014-0199 Screening compound: methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate
P014-0199 Screening compound: methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P014-0199
methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate

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

P014-0199

Molecular Formula

C22H22N4O4S (C22 H22 N4 O4 S)

Compound Name

methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate

IUPAC name

methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate

SMILES

COC(c1cccc(C(NC(CC2)CCN2C(c2cc(-c3cccs3)n[nH]2)=O)=O)c1)=O

InChI

InChI=1S/C22H22N4O4S/c1-30-22(29)15-5-2-4-14(12-15)20(27)23-16-7-9-26(10-8-16)21(28)18-13-17(24-25-18)19-6-3-11-31-19/h2-6,11-13,16H,7-10H2,1H3,(H,23,27)(H,24,25)

InChI Key

HNRZCTRCQZABEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.40

Polar Surface Area

85.515

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P014-0199 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 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 P014-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P014-0199?
Check Price and Availability of P014-0199, 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 P014-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P014-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P014-0199
  • 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 P014-0199 available by request