3688-0191 Screening compound: (2Z)-3-(3-bromophenyl)-N,N-diethyl-2-[(furan-2-yl)formamido]prop-2-enamide

3688-0191 Screening compound: (2Z)-3-(3-bromophenyl)-N,N-diethyl-2-[(furan-2-yl)formamido]prop-2-enamide
3688-0191 Screening compound: (2Z)-3-(3-bromophenyl)-N,N-diethyl-2-[(furan-2-yl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3688-0191
(2Z)-3-(3-bromophenyl)-N,N-diethyl-2-[(furan-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

3688-0191

Molecular Formula

C18H19BrN2O3 (C18 H19 BrN2 O3)

Compound Name

(2Z)-3-(3-bromophenyl)-N,N-diethyl-2-[(furan-2-yl)formamido]prop-2-enamide

IUPAC name

(2Z)-3-(3-bromophenyl)-NN-diethyl-2-[(furan-2-yl)formamido]prop-2-enamide

SMILES

CCN(CC)C(/C(/NC(c1ccco1)=O)=C/c1cccc(Br)c1)=O

InChI

InChI=1S/C18H19BrN2O3/c1-3-21(4-2)18(23)15(12-13-7-5-8-14(19)11-13)20-17(22)16-9-6-10-24-16/h5-12H,3-4H2,1-2H3,(H,20,22)

InChI Key

KSSFKTDMCMXBFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

1.316

Water Solubility, LogSw

-3.54

Polar Surface Area

46.673

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3688-0191 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 3688-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3688-0191?
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What is the minimum amount of 3688-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3688-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3688-0191
  • 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 3688-0191 available by request