1890-1174 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide

1890-1174 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
1890-1174 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-1174
N-(2-bromo-4,6-difluorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)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

1890-1174

Molecular Formula

C10H6BrF2N5O3 (C10 H6 BrF2 N5 O3)

Compound Name

N-(2-bromo-4,6-difluorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide

IUPAC name

N-(2-bromo-46-difluorophenyl)-2-(3-nitro-1H-124-triazol-1-yl)acetamide

SMILES

[O-][N+](c1nn(CC(Nc(c(F)cc(F)c2)c2Br)=O)cn1)=O

InChI

InChI=1S/C10H6BrF2N5O3/c11-6-1-5(12)2-7(13)9(6)15-8(19)3-17-4-14-10(16-17)18(20)21/h1-2,4H,3H2,(H,15,19)

InChI Key

OKQZRZGKXGFQCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.09

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

1.749

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-2.50

Polar Surface Area

78.388

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1890-1174 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1890-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1890-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-1174
  • 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 1890-1174 available by request