L711-0102 Screening compound: N-butyl-1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

L711-0102 Screening compound: N-butyl-1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
L711-0102 Screening compound: N-butyl-1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L711-0102
N-butyl-1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

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

L711-0102

Molecular Formula

C22H29N5O2S (C22 H29 N5 O2 S)

Compound Name

N-butyl-1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

IUPAC name

N-butyl-1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[34-d][13]thiazol-5-yl]piperidine-3-carboxamide

SMILES

CCCCNC(C(CCC1)CN1c1nc(n(-c(cc2)ccc2OC)nc2C)c2s1)=O

InChI

InChI=1S/C22H29N5O2S/c1-4-5-12-23-21(28)16-7-6-13-26(14-16)22-24-20-19(30-22)15(2)25-27(20)17-8-10-18(29-3)11-9-17/h8-11,16H,4-7,12-14H2,1-3H3,(H,23,28)/t16-/m0/s1

InChI Key

RYUYGFBAZQTNME-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27472697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.03

Polar Surface Area

60.295

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

L711-0102 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L711-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L711-0102?
Check Price and Availability of L711-0102, 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 L711-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L711-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L711-0102
  • 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 L711-0102 available by request