C201-1481 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

C201-1481 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
C201-1481 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1481
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-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

C201-1481

Molecular Formula

C22H17N3O3S2 (C22 H17 N3 O3 S2)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-3H-15-benzodiazepin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC(C1)=Nc(cccc2)c2N=C1c1cccs1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H17N3O3S2/c26-21(23-14-7-8-18-19(10-14)28-13-27-18)12-30-22-11-17(20-6-3-9-29-20)24-15-4-1-2-5-16(15)25-22/h1-10H,11-13H2,(H,23,26)

InChI Key

XZDKWALTTIINPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.344

Water Solubility, LogSw

-4.41

Polar Surface Area

59.473

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C201-1481 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

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

References: we are preparing a list of scientific research reports with C201-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1481?
Check Price and Availability of C201-1481, 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 C201-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1481
  • 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 C201-1481 available by request