F646-0759 Screening compound: 1-(furan-2-carbonyl)-4-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperazine

F646-0759 Screening compound: 1-(furan-2-carbonyl)-4-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperazine
F646-0759 Screening compound: 1-(furan-2-carbonyl)-4-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F646-0759
1-(furan-2-carbonyl)-4-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperazine

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

F646-0759

Molecular Formula

C22H20N6O3 (C22 H20 N6 O3)

Compound Name

1-(furan-2-carbonyl)-4-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperazine

IUPAC name

1-(furan-2-carbonyl)-4-(2-methyl-3-{3H-[123]triazolo[45-b]pyridin-3-yl}benzoyl)piperazine

SMILES

Cc(c(-n1nnc2cccnc12)ccc1)c1C(N(CC1)CCN1C(c1ccco1)=O)=O

InChI

InChI=1S/C22H20N6O3/c1-15-16(5-2-7-18(15)28-20-17(24-25-28)6-3-9-23-20)21(29)26-10-12-27(13-11-26)22(30)19-8-4-14-31-19/h2-9,14H,10-13H2,1H3

InChI Key

MMUHIBGHGIAEGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27182375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.331

Distribution Coefficient, logD

1.331

Water Solubility, LogSw

-1.76

Polar Surface Area

77.089

Acid Dissociation Constant (pKa)

24.73

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F646-0759 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 F646-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F646-0759?
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What is the minimum amount of F646-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F646-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F646-0759
  • 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 F646-0759 available by request