L317-0072 Screening compound: 3-[4-(1H-indol-2-yl)phenyl]-1-[3-(methylsulfanyl)phenyl]urea

L317-0072 Screening compound: 3-[4-(1H-indol-2-yl)phenyl]-1-[3-(methylsulfanyl)phenyl]urea
L317-0072 Screening compound: 3-[4-(1H-indol-2-yl)phenyl]-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L317-0072
3-[4-(1H-indol-2-yl)phenyl]-1-[3-(methylsulfanyl)phenyl]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

L317-0072

Molecular Formula

C22H19N3OS (C22 H19 N3 OS)

Compound Name

3-[4-(1H-indol-2-yl)phenyl]-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-[4-(1H-indol-2-yl)phenyl]-1-[3-(methylsulfanyl)phenyl]urea

SMILES

CSc1cc(NC(Nc(cc2)ccc2-c2cc(cccc3)c3[nH]2)=O)ccc1

InChI

InChI=1S/C22H19N3OS/c1-27-19-7-4-6-18(14-19)24-22(26)23-17-11-9-15(10-12-17)21-13-16-5-2-3-8-20(16)25-21/h2-14,25H,1H3,(H2,23,24,26)

InChI Key

YOGYRPLGNBNZKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.389

Distribution Coefficient, logD

6.389

Water Solubility, LogSw

-6.51

Polar Surface Area

41.619

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

L317-0072 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L317-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L317-0072?
Check Price and Availability of L317-0072, 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 L317-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L317-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L317-0072
  • 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 L317-0072 available by request