F646-0621 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide

F646-0621 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide
F646-0621 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F646-0621
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-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

F646-0621

Molecular Formula

C28H33N7O (C28 H33 N7 O)

Compound Name

N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide

IUPAC name

N-{3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}-4-methyl-3-{3H-[123]triazolo[45-b]pyridin-3-yl}benzamide

SMILES

Cc1cc(N2CCN(CCCNC(c3cc(-n4nnc5cccnc45)c(C)cc3)=O)CC2)c(C)cc1

InChI

InChI=1S/C28H33N7O/c1-20-7-8-21(2)25(18-20)34-16-14-33(15-17-34)13-5-12-30-28(36)23-10-9-22(3)26(19-23)35-27-24(31-32-35)6-4-11-29-27/h4,6-11,18-19H,5,12-17H2,1-3H3,(H,30,36)

InChI Key

ILQUQSWTKGJERD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27182334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.809

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.80

Polar Surface Area

66.603

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

F646-0621 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F646-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F646-0621?
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What is the minimum amount of F646-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F646-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F646-0621
  • 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 F646-0621 available by request