4281-2053 Screening compound: (5E)-1-(3-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

4281-2053 Screening compound: (5E)-1-(3-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
4281-2053 Screening compound: (5E)-1-(3-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4281-2053
(5E)-1-(3-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

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

4281-2053

Molecular Formula

C22H14FN3O3 (C22 H14 FN3 O3)

Compound Name

(5E)-1-(3-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(3-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-13-diazinane-246-trione

SMILES

C#CCn1c(cccc2)c2c(/C=C(\C(NC(N2c3cccc(F)c3)=O)=O)/C2=O)c1

InChI

InChI=1S/C22H14FN3O3/c1-2-10-25-13-14(17-8-3-4-9-19(17)25)11-18-20(27)24-22(29)26(21(18)28)16-7-5-6-15(23)12-16/h1,3-9,11-13H,10H2,(H,24,27,29)

InChI Key

QEJXIKADAHTSFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04012363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.913

Distribution Coefficient, logD

1.520

Water Solubility, LogSw

-3.23

Polar Surface Area

55.373

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4281-2053 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 4281-2053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4281-2053?
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What is the minimum amount of 4281-2053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4281-2053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4281-2053
  • 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 4281-2053 available by request