D450-0757 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzenesulfonamide

D450-0757 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzenesulfonamide
D450-0757 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D450-0757
N-[(3,4-dimethoxyphenyl)methyl]-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzenesulfonamide

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

D450-0757

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

N-[(3,4-dimethoxyphenyl)methyl]-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzenesulfonamide

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-N-{57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}benzenesulfonamide

SMILES

Cc1cc(C)nc2nc(N(Cc(cc3)cc(OC)c3OC)S(c3ccccc3)(=O)=O)nn12

InChI

InChI=1S/C22H23N5O4S/c1-15-12-16(2)27-21(23-15)24-22(25-27)26(32(28,29)18-8-6-5-7-9-18)14-17-10-11-19(30-3)20(13-17)31-4/h5-13H,14H2,1-4H3

InChI Key

YPWKJFWCUZHHQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.615

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-2.85

Polar Surface Area

76.571

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D450-0757 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D450-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D450-0757?
Check Price and Availability of D450-0757, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D450-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D450-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D450-0757
  • 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 D450-0757 available by request