L150-0962 Screening compound: N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide

L150-0962 Screening compound: N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide
L150-0962 Screening compound: N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L150-0962
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide

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

L150-0962

Molecular Formula

C18H17BrN4OS (C18 H17 BrN4 OS)

Compound Name

N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide

IUPAC name

N-{2-[(3-bromo-1-methyl-1H-124-triazol-5-yl)sulfanyl]phenyl}-4-ethylbenzamide

SMILES

CCc(cc1)ccc1C(Nc(cccc1)c1Sc1nc(Br)nn1C)=O

InChI

InChI=1S/C18H17BrN4OS/c1-3-12-8-10-13(11-9-12)16(24)20-14-6-4-5-7-15(14)25-18-21-17(19)22-23(18)2/h4-11H,3H2,1-2H3,(H,20,24)

InChI Key

YEZREUAODCZGQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.528

Distribution Coefficient, logD

4.528

Water Solubility, LogSw

-4.27

Polar Surface Area

47.986

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L150-0962 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L150-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L150-0962?
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What is the minimum amount of L150-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L150-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L150-0962
  • 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 L150-0962 available by request