P181-1694 Screening compound: N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2,4-dimethylbenzamide

P181-1694 Screening compound: N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2,4-dimethylbenzamide
P181-1694 Screening compound: N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-1694
N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2,4-dimethylbenzamide

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

P181-1694

Molecular Formula

C21H15F2N3O2S (C21 H15 F2 N3 O2 S)

Compound Name

N-{2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-2,4-dimethylbenzamide

IUPAC name

N-{2-[3-(34-difluorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}-24-dimethylbenzamide

SMILES

Cc(cc1)cc(C)c1C(Nc1c(-c2nc(-c(cc3)cc(F)c3F)no2)scc1)=O

InChI

InChI=1S/C21H15F2N3O2S/c1-11-3-5-14(12(2)9-11)20(27)24-17-7-8-29-18(17)21-25-19(26-28-21)13-4-6-15(22)16(23)10-13/h3-10H,1-2H3,(H,24,27)

InChI Key

SSEWRIBQFSJKDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.046

Distribution Coefficient, logD

6.046

Water Solubility, LogSw

-5.46

Polar Surface Area

55.056

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P181-1694 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 P181-1694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-1694?
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What is the minimum amount of P181-1694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-1694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-1694
  • 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 P181-1694 available by request