5510-1178 Screening compound: 2-{5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methyl-1,2-dihydrophthalazin-1-one

5510-1178 Screening compound: 2-{5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methyl-1,2-dihydrophthalazin-1-one
5510-1178 Screening compound: 2-{5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methyl-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5510-1178
2-{5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methyl-1,2-dihydrophthalazin-1-one

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

5510-1178

Molecular Formula

C26H22FN5O4 (C26 H22 FN5 O4)

Compound Name

2-{5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methyl-1,2-dihydrophthalazin-1-one

IUPAC name

2-{5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methyl-12-dihydrophthalazin-1-one

SMILES

CC(c1c2cccc1)=NN(c(cc(cc1)N(CC3)CCN3C(c3cccc(F)c3)=O)c1[N+]([O-])=O)C2=O

InChI

InChI=1S/C26H22FN5O4/c1-17-21-7-2-3-8-22(21)26(34)31(28-17)24-16-20(9-10-23(24)32(35)36)29-11-13-30(14-12-29)25(33)18-5-4-6-19(27)15-18/h2-10,15-16H,11-14H2,1H3

InChI Key

QEBIVEVITPSMDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03614865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.92

Polar Surface Area

77.909

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

5510-1178 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5510-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5510-1178?
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What is the minimum amount of 5510-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5510-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5510-1178
  • 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 5510-1178 available by request