3335-4040 Screening compound: 5-chloro-N-{naphtho[2,1-d][1,3]thiazol-2-yl}thiophene-2-carboxamide

3335-4040 Screening compound: 5-chloro-N-{naphtho[2,1-d][1,3]thiazol-2-yl}thiophene-2-carboxamide
3335-4040 Screening compound: 5-chloro-N-{naphtho[2,1-d][1,3]thiazol-2-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-4040
5-chloro-N-{naphtho[2,1-d][1,3]thiazol-2-yl}thiophene-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

3335-4040

Molecular Formula

C16H9ClN2OS2 (C16 H9 ClN2 OS2)

Compound Name

5-chloro-N-{naphtho[2,1-d][1,3]thiazol-2-yl}thiophene-2-carboxamide

IUPAC name

5-chloro-N-{naphtho[21-d][13]thiazol-2-yl}thiophene-2-carboxamide

SMILES

O=C(c(s1)ccc1Cl)Nc1nc(ccc2ccccc22)c2s1

InChI

InChI=1S/C16H9ClN2OS2/c17-13-8-7-12(21-13)15(20)19-16-18-11-6-5-9-3-1-2-4-10(9)14(11)22-16/h1-8H,(H,18,19,20)

InChI Key

RFKJTPMILUSGRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.821

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-6.51

Polar Surface Area

33.838

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3335-4040 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3335-4040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-4040?
Check Price and Availability of 3335-4040, 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 3335-4040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-4040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-4040
  • 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 3335-4040 available by request