L525-0139 Screening compound: methyl 4-({[1-(benzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]carbamoyl}amino)benzoate

L525-0139 Screening compound: methyl 4-({[1-(benzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]carbamoyl}amino)benzoate
L525-0139 Screening compound: methyl 4-({[1-(benzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L525-0139
methyl 4-({[1-(benzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]carbamoyl}amino)benzoate

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

L525-0139

Molecular Formula

C23H21N3O5S (C23 H21 N3 O5 S)

Compound Name

methyl 4-({[1-(benzenesulfonyl)-2,3-dihydro-1H-indol-6-yl]carbamoyl}amino)benzoate

IUPAC name

methyl 4-({[1-(benzenesulfonyl)-23-dihydro-1H-indol-6-yl]carbamoyl}amino)benzoate

SMILES

COC(c(cc1)ccc1NC(Nc1cc(N(CC2)S(c3ccccc3)(=O)=O)c2cc1)=O)=O

InChI

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

InChI Key

SAQLGHKXDZBGDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15129623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.26

Polar Surface Area

85.234

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L525-0139 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L525-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L525-0139?
Check Price and Availability of L525-0139, 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 L525-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L525-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L525-0139
  • 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 L525-0139 available by request