L701-0111 Screening compound: 3-{5-[5-(5-bromopyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

L701-0111 Screening compound: 3-{5-[5-(5-bromopyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
L701-0111 Screening compound: 3-{5-[5-(5-bromopyridin-3-yl)-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 L701-0111
3-{5-[5-(5-bromopyridin-3-yl)-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

L701-0111

Molecular Formula

C20H18BrN7O2 (C20 H18 BrN7 O2)

Compound Name

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

SMILES

O=C(CCn1nnc2c1ccc(-c1noc(-c3cc(Br)cnc3)n1)c2)N1CCCC1

InChI

InChI=1S/C20H18BrN7O2/c21-15-9-14(11-22-12-15)20-23-19(25-30-20)13-3-4-17-16(10-13)24-26-28(17)8-5-18(29)27-6-1-2-7-27/h3-4,9-12H,1-2,5-8H2

InChI Key

DPHQLZKNZBAHKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.053

Distribution Coefficient, logD

3.053

Water Solubility, LogSw

-3.09

Polar Surface Area

83.415

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L701-0111 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L701-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0111?
Check Price and Availability of L701-0111, 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 L701-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0111
  • 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 L701-0111 available by request