D450-0758 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzene-1-sulfonamide

D450-0758 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzene-1-sulfonamide
D450-0758 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D450-0758
N-[(3,4-dimethoxyphenyl)methyl]-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-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

D450-0758

Molecular Formula

C23H25N5O4S (C23 H25 N5 O4 S)

Compound Name

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

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-N-{57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(Cc(cc1)cc(OC)c1OC)c1nn2c(C)cc(C)nc2n1)(=O)=O

InChI

InChI=1S/C23H25N5O4S/c1-15-6-9-19(10-7-15)33(29,30)27(14-18-8-11-20(31-4)21(13-18)32-5)23-25-22-24-16(2)12-17(3)28(22)26-23/h6-13H,14H2,1-5H3

InChI Key

WCDLVQIZWXILEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

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

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.24

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

26.10

D450-0758 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D450-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D450-0758?
Check Price and Availability of D450-0758, 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 D450-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D450-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D450-0758
  • 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 D450-0758 available by request