L701-0544 Screening compound: 3-{5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(morpholin-4-yl)propan-1-one

L701-0544 Screening compound: 3-{5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(morpholin-4-yl)propan-1-one
L701-0544 Screening compound: 3-{5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(morpholin-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L701-0544
3-{5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(morpholin-4-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

L701-0544

Molecular Formula

C20H20N6O3S (C20 H20 N6 O3 S)

Compound Name

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

IUPAC name

3-{5-[5-(3-methylthiophen-2-yl)-124-oxadiazol-3-yl]-1H-123-benzotriazol-1-yl}-1-(morpholin-4-yl)propan-1-one

SMILES

Cc1c(-c2nc(-c(cc3)cc4c3n(CCC(N3CCOCC3)=O)nn4)no2)scc1

InChI

InChI=1S/C20H20N6O3S/c1-13-5-11-30-18(13)20-21-19(23-29-20)14-2-3-16-15(12-14)22-24-26(16)6-4-17(27)25-7-9-28-10-8-25/h2-3,5,11-12H,4,6-10H2,1H3

InChI Key

FRWSIZPZTWCXMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

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

2.449

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-2.60

Polar Surface Area

82.368

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L701-0544 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L701-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0544?
Check Price and Availability of L701-0544, 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 L701-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0544
  • 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 L701-0544 available by request