2681-3456 Screening compound: (2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(3-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

2681-3456 Screening compound: (2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(3-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
2681-3456 Screening compound: (2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(3-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3456
(2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(3-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

2681-3456

Molecular Formula

C23H17BrN4O7 (C23 H17 BrN4 O7)

Compound Name

(2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(3-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(3-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

SMILES

COc(ccc(C(N/C(/C(Nc1cc([N+]([O-])=O)ccc1)=O)=C\c(cc1)ccc1[N+]([O-])=O)=O)c1)c1Br

InChI

InChI=1S/C23H17BrN4O7/c1-35-21-10-7-15(12-19(21)24)22(29)26-20(11-14-5-8-17(9-6-14)27(31)32)23(30)25-16-3-2-4-18(13-16)28(33)34/h2-13H,1H3,(H,25,30)(H,26,29)

InChI Key

WMIYLCBPBNNHLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.31

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.571

Water Solubility, LogSw

-4.79

Polar Surface Area

119.648

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2681-3456 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 2681-3456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3456?
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What is the minimum amount of 2681-3456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3456
  • 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 2681-3456 available by request