L525-0062 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]urea

L525-0062 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]urea
L525-0062 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L525-0062
1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]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

L525-0062

Molecular Formula

C23H21N3O5S (C23 H21 N3 O5 S)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]urea

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-[1-(4-methylbenzenesulfonyl)-23-dihydro-1H-indol-6-yl]urea

SMILES

Cc(cc1)ccc1S(N(CC1)c2c1ccc(NC(Nc(cc1)cc3c1OCO3)=O)c2)(=O)=O

InChI

InChI=1S/C23H21N3O5S/c1-15-2-7-19(8-3-15)32(28,29)26-11-10-16-4-5-17(12-20(16)26)24-23(27)25-18-6-9-21-22(13-18)31-14-30-21/h2-9,12-13H,10-11,14H2,1H3,(H2,24,25,27)

InChI Key

RYVMXTJKIRFHJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15129593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.895

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-4.56

Polar Surface Area

81.175

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L525-0062 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L525-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L525-0062?
Check Price and Availability of L525-0062, 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 L525-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L525-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L525-0062
  • 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 L525-0062 available by request