5639-0127 Screening compound: (E)-N-{7-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-1-(4-nitrophenyl)methanimine

5639-0127 Screening compound: (E)-N-{7-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-1-(4-nitrophenyl)methanimine
5639-0127 Screening compound: (E)-N-{7-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-1-(4-nitrophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5639-0127
(E)-N-{7-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-1-(4-nitrophenyl)methanimine

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

5639-0127

Molecular Formula

C19H15N3O3S (C19 H15 N3 O3 S)

Compound Name

(E)-N-{7-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-1-(4-nitrophenyl)methanimine

IUPAC name

(E)-N-{7-methoxy-4H5H-naphtho[12-d][13]thiazol-2-yl}-1-(4-nitrophenyl)methanimine

SMILES

COc(cc1)cc(CC2)c1-c1c2sc(/N=C/c(cc2)ccc2[N+]([O-])=O)n1

InChI

InChI=1S/C19H15N3O3S/c1-25-15-7-8-16-13(10-15)4-9-17-18(16)21-19(26-17)20-11-12-2-5-14(6-3-12)22(23)24/h2-3,5-8,10-11H,4,9H2,1H3

InChI Key

VPRYVGNOTTVLDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01199578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.021

Distribution Coefficient, logD

5.021

Water Solubility, LogSw

-4.81

Polar Surface Area

59.848

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5639-0127 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5639-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5639-0127?
Check Price and Availability of 5639-0127, 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 5639-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5639-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5639-0127
  • 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 5639-0127 available by request