P899-0029 Screening compound: 4-methyl-1-({2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-yl}sulfonyl)piperidine

P899-0029 Screening compound: 4-methyl-1-({2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-yl}sulfonyl)piperidine
P899-0029 Screening compound: 4-methyl-1-({2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-yl}sulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P899-0029
4-methyl-1-({2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-yl}sulfonyl)piperidine

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

P899-0029

Molecular Formula

C19H26N4O4S (C19 H26 N4 O4 S)

Compound Name

4-methyl-1-({2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-yl}sulfonyl)piperidine

IUPAC name

4-methyl-1-({2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-yl}sulfonyl)piperidine

SMILES

CC(CC1)CCN1S(c1c(C)oc(-c([nH]nc2)c2C(N2CCCC2)=O)c1)(=O)=O

InChI

InChI=1S/C19H26N4O4S/c1-13-5-9-23(10-6-13)28(25,26)17-11-16(27-14(17)2)18-15(12-20-21-18)19(24)22-7-3-4-8-22/h11-13H,3-10H2,1-2H3,(H,20,21)

InChI Key

YBLJKVZTSSDHPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.255

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.78

Polar Surface Area

81.479

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

P899-0029 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P899-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P899-0029?
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What is the minimum amount of P899-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P899-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P899-0029
  • 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 P899-0029 available by request