1900-3022 Screening compound: 3,4-dichloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide

1900-3022 Screening compound: 3,4-dichloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
1900-3022 Screening compound: 3,4-dichloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1900-3022
3,4-dichloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide

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

1900-3022

Molecular Formula

C15H8Cl2N2O3S (C15 H8 Cl2 N2 O3 S)

Compound Name

3,4-dichloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide

IUPAC name

34-dichloro-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide

SMILES

[O-][N+](c(cc1)ccc1NC(c(sc1cccc(Cl)c11)c1Cl)=O)=O

InChI

InChI=1S/C15H8Cl2N2O3S/c16-10-2-1-3-11-12(10)13(17)14(23-11)15(20)18-8-4-6-9(7-5-8)19(21)22/h1-7H,(H,18,20)

InChI Key

RTJZQZNPXPYBPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-5.82

Polar Surface Area

57.458

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1900-3022 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1900-3022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1900-3022?
Check Price and Availability of 1900-3022, 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 1900-3022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1900-3022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1900-3022
  • 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 1900-3022 available by request