C066-3596 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)acetamide

C066-3596 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)acetamide
C066-3596 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3596
2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)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

C066-3596

Molecular Formula

C25H30N4O3 (C25 H30 N4 O3)

Compound Name

2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)acetamide

IUPAC name

2-{1H4H-chromeno[43-c]pyrazol-1-yl}-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)acetamide

SMILES

O=C(Cn1ncc2c1-c(cccc1)c1OC2)NCCCN(Cc1ccco1)C1CCCC1

InChI

InChI=1S/C25H30N4O3/c30-24(17-29-25-19(15-27-29)18-32-23-11-4-3-10-22(23)25)26-12-6-13-28(20-7-1-2-8-20)16-21-9-5-14-31-21/h3-5,9-11,14-15,20H,1-2,6-8,12-13,16-18H2,(H,26,30)

InChI Key

OLBDWXPGPJCPPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

1.315

Water Solubility, LogSw

-3.08

Polar Surface Area

57.161

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C066-3596 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C066-3596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3596?
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What is the minimum amount of C066-3596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3596
  • 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 C066-3596 available by request