F845-0101 Screening compound: 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)-N-methylthiophene-3-sulfonamide

F845-0101 Screening compound: 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)-N-methylthiophene-3-sulfonamide
F845-0101 Screening compound: 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)-N-methylthiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F845-0101
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)-N-methylthiophene-3-sulfonamide

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

F845-0101

Molecular Formula

C23H23N3O5S2 (C23 H23 N3 O5 S2)

Compound Name

2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)-N-methylthiophene-3-sulfonamide

IUPAC name

2-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-N-(35-dimethylphenyl)-N-methylthiophene-3-sulfonamide

SMILES

Cc1cc(N(C)S(c2c(-c3nc(-c(cc4)cc(OC)c4OC)no3)scc2)(=O)=O)cc(C)c1

InChI

InChI=1S/C23H23N3O5S2/c1-14-10-15(2)12-17(11-14)26(3)33(27,28)20-8-9-32-21(20)23-24-22(25-31-23)16-6-7-18(29-4)19(13-16)30-5/h6-13H,1-5H3

InChI Key

DAKBENAENBHUFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11997561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.694

Distribution Coefficient, logD

5.694

Water Solubility, LogSw

-5.58

Polar Surface Area

80.745

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F845-0101 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 F845-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F845-0101?
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What is the minimum amount of F845-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F845-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F845-0101
  • 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 F845-0101 available by request