F019-6012 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)acetamide

F019-6012 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)acetamide
F019-6012 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-6012
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)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

F019-6012

Molecular Formula

C22H19N5O4S (C22 H19 N5 O4 S)

Compound Name

2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)acetamide

IUPAC name

2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)acetamide

SMILES

Cc(ccc(NC(CSc1nnc(-c2cc(cccc3)c3o2)n1CC=C)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H19N5O4S/c1-3-10-26-21(19-11-15-6-4-5-7-18(15)31-19)24-25-22(26)32-13-20(28)23-16-9-8-14(2)17(12-16)27(29)30/h3-9,11-12H,1,10,13H2,2H3,(H,23,28)

InChI Key

QYYKZVCLRPLDNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08670174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.084

Water Solubility, LogSw

-5.51

Polar Surface Area

88.742

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F019-6012 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F019-6012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-6012?
Check Price and Availability of F019-6012, 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 F019-6012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-6012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-6012
  • 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 F019-6012 available by request