L409-0380 Screening compound: 3-tert-butyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]urea

L409-0380 Screening compound: 3-tert-butyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]urea
L409-0380 Screening compound: 3-tert-butyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L409-0380
3-tert-butyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]urea

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

L409-0380

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

3-tert-butyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]urea

IUPAC name

3-tert-butyl-1-[2-(23-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]urea

SMILES

CC(C)(C)NC(NC(C(N(CC1)c2c1cccc2)=O)c1ccccc1)=O

InChI

InChI=1S/C21H25N3O2/c1-21(2,3)23-20(26)22-18(16-10-5-4-6-11-16)19(25)24-14-13-15-9-7-8-12-17(15)24/h4-12,18H,13-14H2,1-3H3,(H2,22,23,26)/t18-/m1/s1

InChI Key

BJTHKYAUGNQACK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15126443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.264

Distribution Coefficient, logD

3.264

Water Solubility, LogSw

-3.43

Polar Surface Area

49.312

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L409-0380 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L409-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L409-0380?
Check Price and Availability of L409-0380, 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 L409-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L409-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L409-0380
  • 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 L409-0380 available by request