8001-6444 Screening compound: 4-({[4-(dimethylamino)phenyl]carbamothioyl}oxy)-N-(2,3-dimethylphenyl)benzamide

8001-6444 Screening compound: 4-({[4-(dimethylamino)phenyl]carbamothioyl}oxy)-N-(2,3-dimethylphenyl)benzamide
8001-6444 Screening compound: 4-({[4-(dimethylamino)phenyl]carbamothioyl}oxy)-N-(2,3-dimethylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-6444
4-({[4-(dimethylamino)phenyl]carbamothioyl}oxy)-N-(2,3-dimethylphenyl)benzamide

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

8001-6444

Molecular Formula

C24H25N3O2S (C24 H25 N3 O2 S)

Compound Name

4-({[4-(dimethylamino)phenyl]carbamothioyl}oxy)-N-(2,3-dimethylphenyl)benzamide

IUPAC name

4-({[4-(dimethylamino)phenyl]carbamothioyl}oxy)-N-(23-dimethylphenyl)benzamide

SMILES

Cc1cccc(NC(c(cc2)ccc2OC(Nc(cc2)ccc2N(C)C)=S)=O)c1C

InChI

InChI=1S/C24H25N3O2S/c1-16-6-5-7-22(17(16)2)26-23(28)18-8-14-21(15-9-18)29-24(30)25-19-10-12-20(13-11-19)27(3)4/h5-15H,1-4H3,(H,25,30)(H,26,28)

InChI Key

HDSUTSPVRQJQGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-5.46

Polar Surface Area

42.476

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8001-6444 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8001-6444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-6444?
Check Price and Availability of 8001-6444, 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 8001-6444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-6444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-6444
  • 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 8001-6444 available by request