2279-5246 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]prop-2-enamide

2279-5246 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]prop-2-enamide
2279-5246 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-5246
(2E)-3-(3,4-dimethoxyphenyl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]prop-2-enamide

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

2279-5246

Molecular Formula

C20H17N3O7S2 (C20 H17 N3 O7 S2)

Compound Name

(2E)-3-(3,4-dimethoxyphenyl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]prop-2-enamide

IUPAC name

(2E)-3-(34-dimethoxyphenyl)-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]prop-2-enamide

SMILES

COc(ccc(/C=C/C(Nc(s1)ncc1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C20H17N3O7S2/c1-29-16-9-3-13(11-17(16)30-2)4-10-18(24)22-20-21-12-19(31-20)32(27,28)15-7-5-14(6-8-15)23(25)26/h3-12H,1-2H3,(H,21,22,24)

InChI Key

LYVYTFRSGPQQHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01472278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.18

Polar Surface Area

111.827

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2279-5246 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2279-5246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-5246?
Check Price and Availability of 2279-5246, 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 2279-5246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-5246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-5246
  • 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 2279-5246 available by request