D481-0613 Screening compound: N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide

D481-0613 Screening compound: N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide
D481-0613 Screening compound: N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0613
N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[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

D481-0613

Molecular Formula

C25H22FN5O2S (C25 H22 FN5 O2 S)

Compound Name

N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1C1=CC(c(cc2)ccc2F)n2nc(NS(c3ccc(C)cc3)(=O)=O)nc2N1

InChI

InChI=1S/C25H22FN5O2S/c1-16-3-7-18(8-4-16)22-15-23(19-9-11-20(26)12-10-19)31-25(27-22)28-24(29-31)30-34(32,33)21-13-5-17(2)6-14-21/h3-15,23H,1-2H3,(H2,27,28,29,30)/t23-/m0/s1

InChI Key

HAKKORQMPATDLI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27588816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.710

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-5.67

Polar Surface Area

79.443

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

D481-0613 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 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 D481-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0613?
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What is the minimum amount of D481-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0613
  • 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 D481-0613 available by request