8017-1615 Screening compound: 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N~1~-(2-fluorophenyl)acetamide

8017-1615 Screening compound: 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N~1~-(2-fluorophenyl)acetamide
8017-1615 Screening compound: 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N~1~-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1615
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N~1~-(2-fluorophenyl)acetamide

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

8017-1615

Molecular Formula

C10H7BrFN5O3 (C10 H7 BrFN5 O3)

Compound Name

2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N~1~-(2-fluorophenyl)acetamide

IUPAC name

2-(5-bromo-3-nitro-1H-124-triazol-1-yl)-N-(2-fluorophenyl)acetamide

SMILES

[O-][N+](c1nn(CC(Nc(cccc2)c2F)=O)c(Br)n1)=O

InChI

InChI=1S/C10H7BrFN5O3/c11-9-14-10(17(19)20)15-16(9)5-8(18)13-7-4-2-1-3-6(7)12/h1-4H,5H2,(H,13,18)

InChI Key

YOOQAHSXACAQOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.515

Water Solubility, LogSw

-2.37

Polar Surface Area

80.384

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8017-1615 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 8017-1615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1615?
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What is the minimum amount of 8017-1615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1615
  • 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 8017-1615 available by request