L057-0681 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(3,4,5-trimethoxyphenyl)urea

L057-0681 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(3,4,5-trimethoxyphenyl)urea
L057-0681 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(3,4,5-trimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-0681
3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(3,4,5-trimethoxyphenyl)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

L057-0681

Molecular Formula

C27H29N3O5 (C27 H29 N3 O5)

Compound Name

3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(3,4,5-trimethoxyphenyl)urea

IUPAC name

3-[(1-benzoyl-2-methyl-23-dihydro-1H-indol-6-yl)methyl]-1-(345-trimethoxyphenyl)urea

SMILES

CC(C1)N(C(c2ccccc2)=O)c2c1ccc(CNC(Nc(cc1OC)cc(OC)c1OC)=O)c2

InChI

InChI=1S/C27H29N3O5/c1-17-12-20-11-10-18(13-22(20)30(17)26(31)19-8-6-5-7-9-19)16-28-27(32)29-21-14-23(33-2)25(35-4)24(15-21)34-3/h5-11,13-15,17H,12,16H2,1-4H3,(H2,28,29,32)/t17-/m1/s1

InChI Key

KLXIXZGFWISBCF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27227140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.80

Polar Surface Area

71.459

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

L057-0681 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cardiovascular Library (22201 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L057-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-0681?
Check Price and Availability of L057-0681, 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 L057-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-0681
  • 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 L057-0681 available by request