3633-0056 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamide

3633-0056 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamide
3633-0056 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3633-0056
(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]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

3633-0056

Molecular Formula

C15H11BrN2O5 (C15 H11 BrN2 O5)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamide

SMILES

NC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C15H11BrN2O5/c16-13-4-3-11(23-13)15(20)18-9(14(17)19)5-8-1-2-10-12(6-8)22-7-21-10/h1-6H,7H2,(H2,17,19)(H,18,20)

InChI Key

JYUROAQCPHZJFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01902329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

0.526

Water Solubility, LogSw

-3.02

Polar Surface Area

82.263

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

3633-0056 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 3633-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3633-0056?
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What is the minimum amount of 3633-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3633-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3633-0056
  • 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 3633-0056 available by request