3785-0379 Screening compound: 2-[(3-chloro-4-methylphenyl)amino]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

3785-0379 Screening compound: 2-[(3-chloro-4-methylphenyl)amino]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one
3785-0379 Screening compound: 2-[(3-chloro-4-methylphenyl)amino]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3785-0379
2-[(3-chloro-4-methylphenyl)amino]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

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

3785-0379

Molecular Formula

C21H21ClN2O (C21 H21 ClN2 O)

Compound Name

2-[(3-chloro-4-methylphenyl)amino]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

IUPAC name

2-[(3-chloro-4-methylphenyl)amino]-1-(2349-tetrahydro-1H-carbazol-9-yl)ethan-1-one

SMILES

Cc(ccc(NCC(n1c(cccc2)c2c2c1CCCC2)=O)c1)c1Cl

InChI

InChI=1S/C21H21ClN2O/c1-14-10-11-15(12-18(14)22)23-13-21(25)24-19-8-4-2-6-16(19)17-7-3-5-9-20(17)24/h2,4,6,8,10-12,23H,3,5,7,9,13H2,1H3

InChI Key

PPJNUCWKYIXNFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.86

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.392

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.88

Polar Surface Area

25.262

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3785-0379 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3785-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3785-0379?
Check Price and Availability of 3785-0379, 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 3785-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3785-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3785-0379
  • 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 3785-0379 available by request