2044-1137 Screening compound: 2-chloro-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide

2044-1137 Screening compound: 2-chloro-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
2044-1137 Screening compound: 2-chloro-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-1137
2-chloro-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide

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

2044-1137

Molecular Formula

C20H11ClN4O5S (C20 H11 ClN4 O5 S)

Compound Name

2-chloro-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide

IUPAC name

2-chloro-N-[4-(naphthalen-1-yl)-13-thiazol-2-yl]-35-dinitrobenzamide

SMILES

[O-][N+](c(cc1C(Nc2nc(-c3cccc4ccccc34)cs2)=O)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C20H11ClN4O5S/c21-18-15(8-12(24(27)28)9-17(18)25(29)30)19(26)23-20-22-16(10-31-20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,22,23,26)

InChI Key

HNGLZGSITAWGPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.85

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.536

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-6.30

Polar Surface Area

99.295

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2044-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-1137?
Check Price and Availability of 2044-1137, 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 2044-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-1137
  • 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 2044-1137 available by request