P147-0624 Screening compound: 4-{4-[(cyclopropylformamido)methyl]-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

P147-0624 Screening compound: 4-{4-[(cyclopropylformamido)methyl]-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
P147-0624 Screening compound: 4-{4-[(cyclopropylformamido)methyl]-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P147-0624
4-{4-[(cyclopropylformamido)methyl]-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

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

P147-0624

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

4-{4-[(cyclopropylformamido)methyl]-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

IUPAC name

4-{4-[(cyclopropylformamido)methyl]-1H-pyrazol-1-yl}-N-(23-dihydro-14-benzodioxin-6-yl)benzamide

SMILES

O=C(C1CC1)NCc1cn(-c(cc2)ccc2C(Nc(cc2)cc3c2OCCO3)=O)nc1

InChI

InChI=1S/C23H22N4O4/c28-22(16-1-2-16)24-12-15-13-25-27(14-15)19-6-3-17(4-7-19)23(29)26-18-5-8-20-21(11-18)31-10-9-30-20/h3-8,11,13-14,16H,1-2,9-10,12H2,(H,24,28)(H,26,29)

InChI Key

OBHDJNFZMOWLHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.605

Distribution Coefficient, logD

1.602

Water Solubility, LogSw

-2.30

Polar Surface Area

78.447

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

P147-0624 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P147-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P147-0624?
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What is the minimum amount of P147-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P147-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P147-0624
  • 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 P147-0624 available by request