3379-2322 Screening compound: methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

3379-2322 Screening compound: methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate
3379-2322 Screening compound: methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2322
methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(3-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

3379-2322

Molecular Formula

C22H16BrN3O7 (C22 H16 BrN3 O7)

Compound Name

methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

IUPAC name

methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

SMILES

COC(c1cccc(NC(/C(/NC(c(o2)ccc2Br)=O)=C\c2cc([N+]([O-])=O)ccc2)=O)c1)=O

InChI

InChI=1S/C22H16BrN3O7/c1-32-22(29)14-5-3-6-15(12-14)24-20(27)17(25-21(28)18-8-9-19(23)33-18)11-13-4-2-7-16(10-13)26(30)31/h2-12H,1H3,(H,24,27)(H,25,28)

InChI Key

BQCZEGUEHFIDFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.29

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-4.49

Polar Surface Area

108.735

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3379-2322 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3379-2322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2322?
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What is the minimum amount of 3379-2322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2322
  • 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 3379-2322 available by request