C753-1434 Screening compound: 1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid

C753-1434 Screening compound: 1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
C753-1434 Screening compound: 1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C753-1434
1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid

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

C753-1434

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid

IUPAC name

1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid

SMILES

Cn1c(C(O)=O)c(CNCCc(cc2)ccc2SC)c2c1cccc2

InChI

InChI=1S/C20H22N2O2S/c1-22-18-6-4-3-5-16(18)17(19(22)20(23)24)13-21-12-11-14-7-9-15(25-2)10-8-14/h3-10,21H,11-13H2,1-2H3,(H,23,24)

InChI Key

NNMDTXBQXLLFBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.27

Polar Surface Area

41.565

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

11.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C753-1434 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C753-1434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C753-1434?
Check Price and Availability of C753-1434, 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 C753-1434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C753-1434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C753-1434
  • 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 C753-1434 available by request