L461-0469 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide

L461-0469 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide
L461-0469 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L461-0469
N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide

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

L461-0469

Molecular Formula

C26H34N6O2S (C26 H34 N6 O2 S)

Compound Name

N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide

IUPAC name

N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-(4-{[13]thiazolo[54-b]pyridin-2-yl}-14-diazepan-1-yl)butanamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(CCC(N(CCC1)CCN1c1nc2cccnc2s1)=O)=O

InChI

InChI=1S/C26H34N6O2S/c1-4-30(5-2)20-9-10-21(19(3)18-20)28-23(33)11-12-24(34)31-14-7-15-32(17-16-31)26-29-22-8-6-13-27-25(22)35-26/h6,8-10,13,18H,4-5,7,11-12,14-17H2,1-3H3,(H,28,33)

InChI Key

DBMGSGMQLLNBLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-3.27

Polar Surface Area

64.080

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

L461-0469 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L461-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L461-0469?
Check Price and Availability of L461-0469, 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 L461-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L461-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L461-0469
  • 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 L461-0469 available by request