3820-2268 Screening compound: N-[4-({[(thiophen-2-yl)formamido]methanethioyl}amino)phenyl]acetamide

3820-2268 Screening compound: N-[4-({[(thiophen-2-yl)formamido]methanethioyl}amino)phenyl]acetamide
3820-2268 Screening compound: N-[4-({[(thiophen-2-yl)formamido]methanethioyl}amino)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-2268
N-[4-({[(thiophen-2-yl)formamido]methanethioyl}amino)phenyl]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

3820-2268

Molecular Formula

C14H13N3O2S2 (C14 H13 N3 O2 S2)

Compound Name

N-[4-({[(thiophen-2-yl)formamido]methanethioyl}amino)phenyl]acetamide

IUPAC name

N-[4-({[(thiophen-2-yl)formamido]methanethioyl}amino)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1NC(NC(c1cccs1)=O)=S)=O

InChI

InChI=1S/C14H13N3O2S2/c1-9(18)15-10-4-6-11(7-5-10)16-14(20)17-13(19)12-3-2-8-21-12/h2-8H,1H3,(H,15,18)(H2,16,17,19,20)

InChI Key

CJHNWMDPTZLVMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.517

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-2.89

Polar Surface Area

57.520

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

3820-2268 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3820-2268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-2268?
Check Price and Availability of 3820-2268, 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 3820-2268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-2268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-2268
  • 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 3820-2268 available by request