D413-0398 Screening compound: N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide

D413-0398 Screening compound: N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
D413-0398 Screening compound: N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0398
N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide

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

D413-0398

Molecular Formula

C19H18ClN5O2S (C19 H18 ClN5 O2 S)

Compound Name

N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide

IUPAC name

N-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]methanesulfonamide

SMILES

Cc(cc1)ccc1C1=CC(c(cccc2)c2Cl)n2nc(NS(C)(=O)=O)nc2N1

InChI

InChI=1S/C19H18ClN5O2S/c1-12-7-9-13(10-8-12)16-11-17(14-5-3-4-6-15(14)20)25-19(21-16)22-18(23-25)24-28(2,26)27/h3-11,17H,1-2H3,(H2,21,22,23,24)/t17-/m0/s1

InChI Key

FJEMUVUKDZBLMO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04127079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-4.41

Polar Surface Area

80.661

Acid Dissociation Constant (pKa)

6.81

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

D413-0398 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D413-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0398?
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What is the minimum amount of D413-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0398
  • 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 D413-0398 available by request