3338-4035 Screening compound: 2,5-dichloro-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)thiophene-3-carboxamide

3338-4035 Screening compound: 2,5-dichloro-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)thiophene-3-carboxamide
3338-4035 Screening compound: 2,5-dichloro-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-4035
2,5-dichloro-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)thiophene-3-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

3338-4035

Molecular Formula

C19H9Cl2NO3S (C19 H9 Cl2 NO3 S)

Compound Name

2,5-dichloro-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)thiophene-3-carboxamide

IUPAC name

25-dichloro-N-(910-dioxo-910-dihydroanthracen-2-yl)thiophene-3-carboxamide

SMILES

O=C(c(cc(s1)Cl)c1Cl)Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C19H9Cl2NO3S/c20-15-8-14(18(21)26-15)19(25)22-9-5-6-12-13(7-9)17(24)11-4-2-1-3-10(11)16(12)23/h1-8H,(H,22,25)

InChI Key

KHNLEAXFTQZJST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04415334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-6.03

Polar Surface Area

50.290

Acid Dissociation Constant (pKa)

6.81

Base Dissociation Constant (pKb)

-9.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3338-4035 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3338-4035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-4035?
Check Price and Availability of 3338-4035, 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 3338-4035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-4035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-4035
  • 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 3338-4035 available by request