P637-0108 Screening compound: N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-[(5-acetamidopyridin-2-yl)oxy]-N-methylacetamide

P637-0108 Screening compound: N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-[(5-acetamidopyridin-2-yl)oxy]-N-methylacetamide
P637-0108 Screening compound: N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-[(5-acetamidopyridin-2-yl)oxy]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P637-0108
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-[(5-acetamidopyridin-2-yl)oxy]-N-methylacetamide

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

P637-0108

Molecular Formula

C16H21N5O3 (C16 H21 N5 O3)

Compound Name

N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-[(5-acetamidopyridin-2-yl)oxy]-N-methylacetamide

IUPAC name

N-[(13-dimethyl-1H-pyrazol-4-yl)methyl]-2-[(5-acetamidopyridin-2-yl)oxy]-N-methylacetamide

SMILES

CC(Nc(cc1)cnc1OCC(N(C)Cc1cn(C)nc1C)=O)=O

InChI

InChI=1S/C16H21N5O3/c1-11-13(9-21(4)19-11)8-20(3)16(23)10-24-15-6-5-14(7-17-15)18-12(2)22/h5-7,9H,8,10H2,1-4H3,(H,18,22)

InChI Key

NKAMZXDQTXPBPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.270

Distribution Coefficient, logD

0.270

Water Solubility, LogSw

-1.73

Polar Surface Area

70.822

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

P637-0108 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P637-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P637-0108?
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What is the minimum amount of P637-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P637-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P637-0108
  • 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 P637-0108 available by request