3253-0819 Screening compound: (E)-1-(2-bromophenyl)-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine

3253-0819 Screening compound: (E)-1-(2-bromophenyl)-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine
3253-0819 Screening compound: (E)-1-(2-bromophenyl)-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-0819
(E)-1-(2-bromophenyl)-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine

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

3253-0819

Molecular Formula

C11H11BrN4 (C11 H11 BrN4)

Compound Name

(E)-1-(2-bromophenyl)-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine

IUPAC name

(E)-1-(2-bromophenyl)-N-(35-dimethyl-4H-124-triazol-4-yl)methanimine

SMILES

Cc1nnc(C)n1/N=C/c(cccc1)c1Br

InChI

InChI=1S/C11H11BrN4/c1-8-14-15-9(2)16(8)13-7-10-5-3-4-6-11(10)12/h3-7H,1-2H3

InChI Key

UAMYHHSZIOWEGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01912938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.14

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.550

Distribution Coefficient, logD

1.549

Water Solubility, LogSw

-1.22

Polar Surface Area

36.849

Acid Dissociation Constant (pKa)

30.70

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3253-0819 in Drug Discovery

Included in Screening Libraries

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3253-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-0819?
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What is the minimum amount of 3253-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-0819
  • 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 3253-0819 available by request