L461-0243 Screening compound: ethyl 2-{1-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane-1-carbonyl)amino]cyclohexyl}acetate

L461-0243 Screening compound: ethyl 2-{1-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane-1-carbonyl)amino]cyclohexyl}acetate
L461-0243 Screening compound: ethyl 2-{1-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane-1-carbonyl)amino]cyclohexyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L461-0243
ethyl 2-{1-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane-1-carbonyl)amino]cyclohexyl}acetate

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

L461-0243

Molecular Formula

C22H31N5O3S (C22 H31 N5 O3 S)

Compound Name

ethyl 2-{1-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane-1-carbonyl)amino]cyclohexyl}acetate

IUPAC name

ethyl 2-{1-[(4-{[13]thiazolo[54-b]pyridin-2-yl}-14-diazepane-1-carbonyl)amino]cyclohexyl}acetate

SMILES

CCOC(CC1(CCCCC1)NC(N(CCC1)CCN1c1nc2cccnc2s1)=O)=O

InChI

InChI=1S/C22H31N5O3S/c1-2-30-18(28)16-22(9-4-3-5-10-22)25-20(29)26-12-7-13-27(15-14-26)21-24-17-8-6-11-23-19(17)31-21/h6,8,11H,2-5,7,9-10,12-16H2,1H3,(H,25,29)

InChI Key

KUNISZNGNNKDNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.55

Polar Surface Area

69.763

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

11.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

L461-0243 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L461-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L461-0243?
Check Price and Availability of L461-0243, 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 L461-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L461-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L461-0243
  • 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 L461-0243 available by request