D413-0014 Screening compound: N-(4-{[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide

D413-0014 Screening compound: N-(4-{[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide
D413-0014 Screening compound: N-(4-{[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0014
N-(4-{[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide

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

D413-0014

Molecular Formula

C25H21ClN6O3S (C25 H21 ClN6 O3 S)

Compound Name

N-(4-{[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide

IUPAC name

N-(4-{[7-(4-chlorophenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1S(Nc1nn(C(C=C(c2ccccc2)N2)c(cc3)ccc3Cl)c2n1)(=O)=O)=O

InChI

InChI=1S/C25H21ClN6O3S/c1-16(33)27-20-11-13-21(14-12-20)36(34,35)31-24-29-25-28-22(17-5-3-2-4-6-17)15-23(32(25)30-24)18-7-9-19(26)10-8-18/h2-15,23H,1H3,(H,27,33)(H2,28,29,30,31)/t23-/m0/s1

InChI Key

CZYLEUZRSLZSRS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03692564

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

521

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.95

Polar Surface Area

102.705

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

D413-0014 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D413-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0014?
Check Price and Availability of D413-0014, 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 D413-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0014
  • 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 D413-0014 available by request