F938-0491 Screening compound: N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-methylpropanamide

F938-0491 Screening compound: N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-methylpropanamide
F938-0491 Screening compound: N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F938-0491
N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-methylpropanamide

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

F938-0491

Molecular Formula

C14H17BrN4OS (C14 H17 BrN4 OS)

Compound Name

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

IUPAC name

N-{2-[(3-bromo-1-ethyl-1H-124-triazol-5-yl)sulfanyl]phenyl}-2-methylpropanamide

SMILES

CCn(c(Sc(cccc1)c1NC(C(C)C)=O)n1)nc1Br

InChI

InChI=1S/C14H17BrN4OS/c1-4-19-14(17-13(15)18-19)21-11-8-6-5-7-10(11)16-12(20)9(2)3/h5-9H,4H2,1-3H3,(H,16,20)

InChI Key

YOBLHGZPNYFXEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14972910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.62

Polar Surface Area

47.696

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

F938-0491 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 F938-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F938-0491?
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What is the minimum amount of F938-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F938-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F938-0491
  • 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 F938-0491 available by request