V016-9350 Screening compound: 2-{1-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylformamido}-N,N-dimethylacetamide

V016-9350 Screening compound: 2-{1-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylformamido}-N,N-dimethylacetamide
V016-9350 Screening compound: 2-{1-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylformamido}-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9350
2-{1-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylformamido}-N,N-dimethylacetamide

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

V016-9350

Molecular Formula

C19H21N5O3 (C19 H21 N5 O3)

Compound Name

2-{1-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylformamido}-N,N-dimethylacetamide

IUPAC name

2-{1-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-124-triazol-3-yl]-N-methylformamido}-NN-dimethylacetamide

SMILES

Cc(cc1)ccc1-n1nc(C(N(C)CC(N(C)C)=O)=O)nc1-c1cocc1

InChI

InChI=1S/C19H21N5O3/c1-13-5-7-15(8-6-13)24-18(14-9-10-27-12-14)20-17(21-24)19(26)23(4)11-16(25)22(2)3/h5-10,12H,11H2,1-4H3

InChI Key

YCJIGIGYKFOYGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287410

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.539

Distribution Coefficient, logD

1.539

Water Solubility, LogSw

-1.97

Polar Surface Area

63.588

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

V016-9350 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V016-9350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9350?
Check Price and Availability of V016-9350, 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 V016-9350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9350
  • 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 V016-9350 available by request