C201-1818 Screening compound: N-benzyl-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

C201-1818 Screening compound: N-benzyl-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
C201-1818 Screening compound: N-benzyl-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1818
N-benzyl-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

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

C201-1818

Molecular Formula

C23H20N4OS (C23 H20 N4 OS)

Compound Name

N-benzyl-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

IUPAC name

N-benzyl-2-{[4-(pyridin-2-yl)-3H-15-benzodiazepin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC(C1)=Nc(cccc2)c2N=C1c1ncccc1)NCc1ccccc1

InChI

InChI=1S/C23H20N4OS/c28-22(25-15-17-8-2-1-3-9-17)16-29-23-14-21(18-10-6-7-13-24-18)26-19-11-4-5-12-20(19)27-23/h1-13H,14-16H2,(H,25,28)

InChI Key

UPEHYBSPPQWHDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.51

Polar Surface Area

51.709

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C201-1818 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C201-1818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1818?
Check Price and Availability of C201-1818, 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 C201-1818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1818
  • 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 C201-1818 available by request