2733-3776 Screening compound: methyl 4-[(2Z)-2-[(4-tert-butylphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

2733-3776 Screening compound: methyl 4-[(2Z)-2-[(4-tert-butylphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate
2733-3776 Screening compound: methyl 4-[(2Z)-2-[(4-tert-butylphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2733-3776
methyl 4-[(2Z)-2-[(4-tert-butylphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

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

2733-3776

Molecular Formula

C28H27N3O6 (C28 H27 N3 O6)

Compound Name

methyl 4-[(2Z)-2-[(4-tert-butylphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

IUPAC name

methyl 4-[(2Z)-2-[(4-tert-butylphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

SMILES

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

InChI

InChI=1S/C28H27N3O6/c1-28(2,3)21-11-7-19(8-12-21)25(32)30-24(17-18-5-15-23(16-6-18)31(35)36)26(33)29-22-13-9-20(10-14-22)27(34)37-4/h5-17H,1-4H3,(H,29,33)(H,30,32)

InChI Key

FHEDDNPYQIFBJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.086

Distribution Coefficient, logD

5.948

Water Solubility, LogSw

-5.66

Polar Surface Area

99.810

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

2733-3776 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2733-3776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2733-3776?
Check Price and Availability of 2733-3776, 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 2733-3776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2733-3776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2733-3776
  • 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 2733-3776 available by request