P180-1004 Screening compound: 3-fluoro-4-methoxy-N-{2-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}benzamide

P180-1004 Screening compound: 3-fluoro-4-methoxy-N-{2-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}benzamide
P180-1004 Screening compound: 3-fluoro-4-methoxy-N-{2-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P180-1004
3-fluoro-4-methoxy-N-{2-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}benzamide

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

P180-1004

Molecular Formula

C17H16FN3O3S (C17 H16 FN3 O3 S)

Compound Name

3-fluoro-4-methoxy-N-{2-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}benzamide

IUPAC name

3-fluoro-4-methoxy-N-{2-[5-(propan-2-yl)-134-oxadiazol-2-yl]thiophen-3-yl}benzamide

SMILES

CC(C)c1nnc(-c(scc2)c2NC(c(cc2)cc(F)c2OC)=O)o1

InChI

InChI=1S/C17H16FN3O3S/c1-9(2)16-20-21-17(24-16)14-12(6-7-25-14)19-15(22)10-4-5-13(23-3)11(18)8-10/h4-9H,1-3H3,(H,19,22)

InChI Key

IWAVOTFBCSVSAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.97

Polar Surface Area

61.796

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

P180-1004 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P180-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P180-1004?
Check Price and Availability of P180-1004, 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 P180-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P180-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P180-1004
  • 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 P180-1004 available by request