T743-0064 Screening compound: 5-{1-[(3,5-difluorophenyl)methyl]-1H-pyrrol-2-yl}-3-ethyl-1,2,4-oxadiazole

T743-0064 Screening compound: 5-{1-[(3,5-difluorophenyl)methyl]-1H-pyrrol-2-yl}-3-ethyl-1,2,4-oxadiazole
T743-0064 Screening compound: 5-{1-[(3,5-difluorophenyl)methyl]-1H-pyrrol-2-yl}-3-ethyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T743-0064
5-{1-[(3,5-difluorophenyl)methyl]-1H-pyrrol-2-yl}-3-ethyl-1,2,4-oxadiazole

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

T743-0064

Molecular Formula

C15H13F2N3O (C15 H13 F2 N3 O)

Compound Name

5-{1-[(3,5-difluorophenyl)methyl]-1H-pyrrol-2-yl}-3-ethyl-1,2,4-oxadiazole

IUPAC name

5-{1-[(35-difluorophenyl)methyl]-1H-pyrrol-2-yl}-3-ethyl-124-oxadiazole

SMILES

CCc1noc(-c2cccn2Cc2cc(F)cc(F)c2)n1

InChI

InChI=1S/C15H13F2N3O/c1-2-14-18-15(21-19-14)13-4-3-5-20(13)9-10-6-11(16)8-12(17)7-10/h3-8H,2,9H2,1H3

InChI Key

BLRNYKJYNRFVJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.014

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.03

Polar Surface Area

34.496

Acid Dissociation Constant (pKa)

26.13

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

T743-0064 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with T743-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T743-0064?
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What is the minimum amount of T743-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T743-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T743-0064
  • 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 T743-0064 available by request