1309-2090 Screening compound: (2E)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

1309-2090 Screening compound: (2E)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide
1309-2090 Screening compound: (2E)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-2090
(2E)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)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

1309-2090

Molecular Formula

C21H23N3O5 (C21 H23 N3 O5)

Compound Name

(2E)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

SMILES

Cc(cc1)ccc1C(N/C(/C(NCCCOC)=O)=C/c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C21H23N3O5/c1-15-7-9-17(10-8-15)20(25)23-19(21(26)22-11-4-12-29-2)14-16-5-3-6-18(13-16)24(27)28/h3,5-10,13-14H,4,11-12H2,1-2H3,(H,22,26)(H,23,25)

InChI Key

ATZSUXKKMLZCIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

1.575

Water Solubility, LogSw

-3.39

Polar Surface Area

88.413

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

1309-2090 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1309-2090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-2090?
Check Price and Availability of 1309-2090, 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 1309-2090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-2090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-2090
  • 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 1309-2090 available by request