2733-3721 Screening compound: (2Z)-2-[(2-chloro-5-nitrophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide

2733-3721 Screening compound: (2Z)-2-[(2-chloro-5-nitrophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
2733-3721 Screening compound: (2Z)-2-[(2-chloro-5-nitrophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2733-3721
(2Z)-2-[(2-chloro-5-nitrophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-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

2733-3721

Molecular Formula

C23H16ClN5O9 (C23 H16 ClN5 O9)

Compound Name

(2Z)-2-[(2-chloro-5-nitrophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-2-[(2-chloro-5-nitrophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide

SMILES

COc(cc(cc1)[N+]([O-])=O)c1NC(/C(/NC(c(cc(cc1)[N+]([O-])=O)c1Cl)=O)=C/c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C23H16ClN5O9/c1-38-21-12-16(29(36)37)6-8-19(21)25-23(31)20(10-13-3-2-4-14(9-13)27(32)33)26-22(30)17-11-15(28(34)35)5-7-18(17)24/h2-12H,1H3,(H,25,31)(H,26,30)

InChI Key

LAXCPHDJDSBNAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.86

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-4.76

Polar Surface Area

152.331

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2733-3721 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 2733-3721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2733-3721?
Check Price and Availability of 2733-3721, 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 2733-3721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2733-3721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2733-3721
  • 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 2733-3721 available by request