8012-7566 Screening compound: N~1~-methyl-4-{[4-(4-methyl-3-{[(2-pyridylmethyl)amino]sulfonyl}phenyl)-1-phthalazinyl]amino}benzamide

8012-7566 Screening compound: N~1~-methyl-4-{[4-(4-methyl-3-{[(2-pyridylmethyl)amino]sulfonyl}phenyl)-1-phthalazinyl]amino}benzamide
8012-7566 Screening compound: N~1~-methyl-4-{[4-(4-methyl-3-{[(2-pyridylmethyl)amino]sulfonyl}phenyl)-1-phthalazinyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7566
N~1~-methyl-4-{[4-(4-methyl-3-{[(2-pyridylmethyl)amino]sulfonyl}phenyl)-1-phthalazinyl]amino}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

8012-7566

Molecular Formula

C29H26N6O3S (C29 H26 N6 O3 S)

Compound Name

N~1~-methyl-4-{[4-(4-methyl-3-{[(2-pyridylmethyl)amino]sulfonyl}phenyl)-1-phthalazinyl]amino}benzamide

IUPAC name

N-methyl-4-{[4-(4-methyl-3-{[(pyridin-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1C(NC)=O)c1)c1S(NCc1ncccc1)(=O)=O

InChI

InChI=1S/C29H26N6O3S/c1-19-10-11-21(17-26(19)39(37,38)32-18-23-7-5-6-16-31-23)27-24-8-3-4-9-25(24)28(35-34-27)33-22-14-12-20(13-15-22)29(36)30-2/h3-17,32H,18H2,1-2H3,(H,30,36)(H,33,35)

InChI Key

ZGAHLNLZYFYAJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.915

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-4.07

Polar Surface Area

107.898

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.34

8012-7566 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8012-7566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7566?
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What is the minimum amount of 8012-7566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7566
  • 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 8012-7566 available by request