L701-0054 Screening compound: 3-{5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

L701-0054 Screening compound: 3-{5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
L701-0054 Screening compound: 3-{5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L701-0054
3-{5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

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

L701-0054

Molecular Formula

C21H18F2N6O2 (C21 H18 F2 N6 O2)

Compound Name

3-{5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-{5-[5-(34-difluorophenyl)-124-oxadiazol-3-yl]-1H-123-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CCn1nnc2c1ccc(-c1noc(-c(cc3)cc(F)c3F)n1)c2)N1CCCC1

InChI

InChI=1S/C21H18F2N6O2/c22-15-5-3-14(11-16(15)23)21-24-20(26-31-21)13-4-6-18-17(12-13)25-27-29(18)10-7-19(30)28-8-1-2-9-28/h3-6,11-12H,1-2,7-10H2

InChI Key

PWSGQHDSEIGKLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.557

Water Solubility, LogSw

-3.76

Polar Surface Area

73.807

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L701-0054 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L701-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0054?
Check Price and Availability of L701-0054, 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 L701-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0054
  • 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 L701-0054 available by request