8016-9575 Screening compound: 4-(chloromethyl)-2-(4-nitrophenyl)-1,3-thiazole

8016-9575 Screening compound: 4-(chloromethyl)-2-(4-nitrophenyl)-1,3-thiazole
8016-9575 Screening compound: 4-(chloromethyl)-2-(4-nitrophenyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9575
4-(chloromethyl)-2-(4-nitrophenyl)-1,3-thiazole

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

8016-9575

Molecular Formula

C10H7ClN2O2S (C10 H7 ClN2 O2 S)

Compound Name

4-(chloromethyl)-2-(4-nitrophenyl)-1,3-thiazole

IUPAC name

4-(chloromethyl)-2-(4-nitrophenyl)-13-thiazole

SMILES

[O-][N+](c(cc1)ccc1-c1nc(CCl)cs1)=O

InChI

InChI=1S/C10H7ClN2O2S/c11-5-8-6-16-10(12-8)7-1-3-9(4-2-7)13(14)15/h1-4,6H,5H2

InChI Key

LFVAPAHRHVOVHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-3.77

Polar Surface Area

43.849

Acid Dissociation Constant (pKa)

29.31

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8016-9575 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-9575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9575?
Check Price and Availability of 8016-9575, 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 8016-9575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9575
  • 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 8016-9575 available by request