F978-0321 Screening compound: methyl 4-chloro-2-({4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate

F978-0321 Screening compound: methyl 4-chloro-2-({4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate
F978-0321 Screening compound: methyl 4-chloro-2-({4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F978-0321
methyl 4-chloro-2-({4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate

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

F978-0321

Molecular Formula

C25H26ClN5O4 (C25 H26 ClN5 O4)

Compound Name

methyl 4-chloro-2-({4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate

IUPAC name

methyl 4-chloro-2-({4-[1-(34-dimethylphenyl)-6-oxo-16-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate

SMILES

Cc(cc1)c(C)cc1N(C(C=C1)=O)N=C1N(CC1)CCN1C(Nc(cc(cc1)Cl)c1C(OC)=O)=O

InChI

InChI=1S/C25H26ClN5O4/c1-16-4-6-19(14-17(16)2)31-23(32)9-8-22(28-31)29-10-12-30(13-11-29)25(34)27-21-15-18(26)5-7-20(21)24(33)35-3/h4-9,14-15H,10-13H2,1-3H3,(H,27,34)

InChI Key

BVKSXLLTHLWTBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.57

Polar Surface Area

76.458

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F978-0321 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F978-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F978-0321?
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What is the minimum amount of F978-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F978-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F978-0321
  • 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 F978-0321 available by request