1309-2195 Screening compound: (2E)-3-(4-bromophenyl)-N-methyl-2-[(4-nitrophenyl)formamido]prop-2-enamide

1309-2195 Screening compound: (2E)-3-(4-bromophenyl)-N-methyl-2-[(4-nitrophenyl)formamido]prop-2-enamide
1309-2195 Screening compound: (2E)-3-(4-bromophenyl)-N-methyl-2-[(4-nitrophenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-2195
(2E)-3-(4-bromophenyl)-N-methyl-2-[(4-nitrophenyl)formamido]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

1309-2195

Molecular Formula

C17H14BrN3O4 (C17 H14 BrN3 O4)

Compound Name

(2E)-3-(4-bromophenyl)-N-methyl-2-[(4-nitrophenyl)formamido]prop-2-enamide

IUPAC name

(2E)-3-(4-bromophenyl)-N-methyl-2-[(4-nitrophenyl)formamido]prop-2-enamide

SMILES

CNC(/C(/NC(c(cc1)ccc1[N+]([O-])=O)=O)=C\c(cc1)ccc1Br)=O

InChI

InChI=1S/C17H14BrN3O4/c1-19-17(23)15(10-11-2-6-13(18)7-3-11)20-16(22)12-4-8-14(9-5-12)21(24)25/h2-10H,1H3,(H,19,23)(H,20,22)

InChI Key

NRYXYKSVAFFBCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00768618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

1.829

Water Solubility, LogSw

-3.60

Polar Surface Area

80.380

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1309-2195 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1309-2195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-2195?
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What is the minimum amount of 1309-2195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-2195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-2195
  • 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 1309-2195 available by request