T743-0127 Screening compound: 3-(5-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-1,2,4-oxadiazol-3-yl)pyridine

T743-0127 Screening compound: 3-(5-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-1,2,4-oxadiazol-3-yl)pyridine
T743-0127 Screening compound: 3-(5-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-1,2,4-oxadiazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound T743-0127
3-(5-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-1,2,4-oxadiazol-3-yl)pyridine

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

T743-0127

Molecular Formula

C18H13FN4O (C18 H13 FN4 O)

Compound Name

3-(5-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-1,2,4-oxadiazol-3-yl)pyridine

IUPAC name

3-(5-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-124-oxadiazol-3-yl)pyridine

SMILES

Fc1ccc(Cn2c(-c3nc(-c4cnccc4)no3)ccc2)cc1

InChI

InChI=1S/C18H13FN4O/c19-15-7-5-13(6-8-15)12-23-10-2-4-16(23)18-21-17(22-24-18)14-3-1-9-20-11-14/h1-11H,12H2

InChI Key

UAJKBPOJKVLNFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.37

Polar Surface Area

42.751

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

T743-0127 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T743-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T743-0127?
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What is the minimum amount of T743-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T743-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T743-0127
  • 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 T743-0127 available by request