C734-0545 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

C734-0545 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
C734-0545 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C734-0545
2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

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

C734-0545

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

IUPAC name

2-{1H4H-chromeno[43-c]pyrazol-1-yl}-N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]acetamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(Cn1ncc2c1-c(cccc1)c1OC2)=O

InChI

InChI=1S/C22H21N3O4/c1-14(15-6-7-19-20(10-15)28-9-8-27-19)24-21(26)12-25-22-16(11-23-25)13-29-18-5-3-2-4-17(18)22/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,24,26)/t14-/m0/s1

InChI Key

ITYXSXGSQSJHBP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14789658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.823

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-2.63

Polar Surface Area

61.364

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C734-0545 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C734-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C734-0545?
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What is the minimum amount of C734-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C734-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C734-0545
  • 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 C734-0545 available by request