8013-0390 Screening compound: N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

8013-0390 Screening compound: N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
8013-0390 Screening compound: N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0390
N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-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

8013-0390

Molecular Formula

C17H21N5O2S (C17 H21 N5 O2 S)

Compound Name

N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

IUPAC name

N-benzyl-N-ethyl-567-trimethyl-[124]triazolo[15-a]pyrimidine-2-sulfonamide

SMILES

CCN(Cc1ccccc1)S(c1nn2c(C)c(C)c(C)nc2n1)(=O)=O

InChI

InChI=1S/C17H21N5O2S/c1-5-21(11-15-9-7-6-8-10-15)25(23,24)17-19-16-18-13(3)12(2)14(4)22(16)20-17/h6-10H,5,11H2,1-4H3

InChI Key

UKCUJWJPFHYFNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.318

Distribution Coefficient, logD

2.318

Water Solubility, LogSw

-2.66

Polar Surface Area

62.026

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8013-0390 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0390?
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What is the minimum amount of 8013-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0390
  • 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 8013-0390 available by request