D665-1198 Screening compound: N-{[5-(4-bromophenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine

D665-1198 Screening compound: N-{[5-(4-bromophenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine
D665-1198 Screening compound: N-{[5-(4-bromophenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D665-1198
N-{[5-(4-bromophenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine

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

D665-1198

Molecular Formula

C13H11BrN4O (C13 H11 BrN4 O)

Compound Name

N-{[5-(4-bromophenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine

IUPAC name

N-{[5-(4-bromophenyl)furan-2-yl]methyl}-1H-124-triazol-3-amine

SMILES

Brc(cc1)ccc1-c1ccc(CNc2n[nH]cn2)o1

InChI

InChI=1S/C13H11BrN4O/c14-10-3-1-9(2-4-10)12-6-5-11(19-12)7-15-13-16-8-17-18-13/h1-6,8H,7H2,(H2,15,16,17,18)

InChI Key

LLGGUJANMZPOGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07610016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.33

Polar Surface Area

54.880

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D665-1198 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with D665-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D665-1198?
Check Price and Availability of D665-1198, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D665-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D665-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D665-1198
  • 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 D665-1198 available by request