4903-2134 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-[4-(cyclohexylamino)phthalazin-1-yl]-2-methylbenzene-1-sulfonamide

4903-2134 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-[4-(cyclohexylamino)phthalazin-1-yl]-2-methylbenzene-1-sulfonamide
4903-2134 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-[4-(cyclohexylamino)phthalazin-1-yl]-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2134
N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-[4-(cyclohexylamino)phthalazin-1-yl]-2-methylbenzene-1-sulfonamide

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

4903-2134

Molecular Formula

C29H30N6O2S (C29 H30 N6 O2 S)

Compound Name

N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-[4-(cyclohexylamino)phthalazin-1-yl]-2-methylbenzene-1-sulfonamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-5-[4-(cyclohexylamino)phthalazin-1-yl]-2-methylbenzene-1-sulfonamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1NC1CCCCC1)c1)c1S(NCc1nc(cccc2)c2[nH]1)(=O)=O

InChI

InChI=1S/C29H30N6O2S/c1-19-15-16-20(17-26(19)38(36,37)30-18-27-32-24-13-7-8-14-25(24)33-27)28-22-11-5-6-12-23(22)29(35-34-28)31-21-9-3-2-4-10-21/h5-8,11-17,21,30H,2-4,9-10,18H2,1H3,(H,31,35)(H,32,33)

InChI Key

MLZHMOQMYXKPNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.943

Distribution Coefficient, logD

5.828

Water Solubility, LogSw

-5.73

Polar Surface Area

94.848

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

4903-2134 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4903-2134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2134?
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What is the minimum amount of 4903-2134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2134
  • 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 4903-2134 available by request