F405-0426 Screening compound: ethyl 2-{4-[({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate

F405-0426 Screening compound: ethyl 2-{4-[({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
F405-0426 Screening compound: ethyl 2-{4-[({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F405-0426
ethyl 2-{4-[({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate

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

F405-0426

Molecular Formula

C22H19ClF3N3O3S (C22 H19 ClF3 N3 O3 S)

Compound Name

ethyl 2-{4-[({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate

IUPAC name

ethyl 2-{4-[({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-15-benzodiazepin-2-yl}acetate

SMILES

CCOC(CC1=CC(SCC(Nc(cc2)c(C(F)(F)F)cc2Cl)=O)=Nc(cccc2)c2N1)=O

InChI

InChI=1S/C22H19ClF3N3O3S/c1-2-32-21(31)11-14-10-20(29-18-6-4-3-5-17(18)27-14)33-12-19(30)28-16-8-7-13(23)9-15(16)22(24,25)26/h3-10,27H,2,11-12H2,1H3,(H,28,30)

InChI Key

SJJYEUJBZJDPAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.14

Polar Surface Area

63.786

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F405-0426 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F405-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F405-0426?
Check Price and Availability of F405-0426, 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 F405-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F405-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F405-0426
  • 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 F405-0426 available by request