3379-2208 Screening compound: methyl 4-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(furan-2-yl)prop-2-enamido]benzoate

3379-2208 Screening compound: methyl 4-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(furan-2-yl)prop-2-enamido]benzoate
3379-2208 Screening compound: methyl 4-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(furan-2-yl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2208
methyl 4-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(furan-2-yl)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

3379-2208

Molecular Formula

C20H15BrN2O6 (C20 H15 BrN2 O6)

Compound Name

methyl 4-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(furan-2-yl)prop-2-enamido]benzoate

IUPAC name

methyl 4-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(furan-2-yl)prop-2-enamido]benzoate

SMILES

COC(c(cc1)ccc1NC(/C(/NC(c(o1)ccc1Br)=O)=C\c1ccco1)=O)=O

InChI

InChI=1S/C20H15BrN2O6/c1-27-20(26)12-4-6-13(7-5-12)22-18(24)15(11-14-3-2-10-28-14)23-19(25)16-8-9-17(21)29-16/h2-11H,1H3,(H,22,24)(H,23,25)

InChI Key

AZYLSGVTUHIRGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02635231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-4.27

Polar Surface Area

83.103

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3379-2208 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 3379-2208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2208?
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What is the minimum amount of 3379-2208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2208
  • 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 3379-2208 available by request