D331-0106 Screening compound: 3-(furan-2-yl)-1-methanesulfonyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazol-5-amine

D331-0106 Screening compound: 3-(furan-2-yl)-1-methanesulfonyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazol-5-amine
D331-0106 Screening compound: 3-(furan-2-yl)-1-methanesulfonyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0106
3-(furan-2-yl)-1-methanesulfonyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazol-5-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

D331-0106

Molecular Formula

C13H14N4O4S (C13 H14 N4 O4 S)

Compound Name

3-(furan-2-yl)-1-methanesulfonyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazol-5-amine

IUPAC name

3-(furan-2-yl)-1-methanesulfonyl-N-[(5-methylfuran-2-yl)methyl]-1H-124-triazol-5-amine

SMILES

Cc1ccc(CNc2nc(-c3ccco3)nn2S(C)(=O)=O)o1

InChI

InChI=1S/C13H14N4O4S/c1-9-5-6-10(21-9)8-14-13-15-12(11-4-3-7-20-11)16-17(13)22(2,18)19/h3-7H,8H2,1-2H3,(H,14,15,16)

InChI Key

ORBXDZQFBKVWDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.34

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

1.758

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-2.39

Polar Surface Area

77.839

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D331-0106 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D331-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0106?
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What is the minimum amount of D331-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0106
  • 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 D331-0106 available by request