8010-5997 Screening compound: 4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazino]-5-nitrophenyl}-1(2H)-phthalazinone

8010-5997 Screening compound: 4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazino]-5-nitrophenyl}-1(2H)-phthalazinone
8010-5997 Screening compound: 4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazino]-5-nitrophenyl}-1(2H)-phthalazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5997
4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazino]-5-nitrophenyl}-1(2H)-phthalazinone

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

8010-5997

Molecular Formula

C28H29N5O4 (C28 H29 N5 O4)

Compound Name

4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazino]-5-nitrophenyl}-1(2H)-phthalazinone

IUPAC name

4-(34-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrophenyl}-12-dihydrophthalazin-1-one

SMILES

Cc(cc1)c(C)cc1C(c1c2cccc1)=NN(c(cc(cc1)[N+]([O-])=O)c1N1CCN(CCO)CC1)C2=O

InChI

InChI=1S/C28H29N5O4/c1-19-7-8-21(17-20(19)2)27-23-5-3-4-6-24(23)28(35)32(29-27)26-18-22(33(36)37)9-10-25(26)31-13-11-30(12-14-31)15-16-34/h3-10,17-18,34H,11-16H2,1-2H3

InChI Key

FEXBAQZAPNATFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.34

Polar Surface Area

82.454

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8010-5997 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-5997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5997?
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What is the minimum amount of 8010-5997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5997
  • 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 8010-5997 available by request