2733-3777 Screening compound: (2Z)-2-[(4-tert-butylphenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

2733-3777 Screening compound: (2Z)-2-[(4-tert-butylphenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
2733-3777 Screening compound: (2Z)-2-[(4-tert-butylphenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2733-3777
(2Z)-2-[(4-tert-butylphenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(4-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

2733-3777

Molecular Formula

C27H26N4O7 (C27 H26 N4 O7)

Compound Name

(2Z)-2-[(4-tert-butylphenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-2-[(4-tert-butylphenyl)formamido]-N-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

SMILES

CC(C)(C)c(cc1)ccc1C(N/C(/C(Nc(ccc([N+]([O-])=O)c1)c1OC)=O)=C\c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C27H26N4O7/c1-27(2,3)19-9-7-18(8-10-19)25(32)29-23(15-17-5-11-20(12-6-17)30(34)35)26(33)28-22-14-13-21(31(36)37)16-24(22)38-4/h5-16H,1-4H3,(H,28,33)(H,29,32)

InChI Key

ZKHOBVXCHOVCHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.009

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-5.52

Polar Surface Area

118.950

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

2733-3777 in Drug Discovery

Included in Screening Libraries

?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
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2733-3777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2733-3777?
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What is the minimum amount of 2733-3777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2733-3777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2733-3777
  • 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 2733-3777 available by request