V028-3986 Screening compound: (E)-N~1~-{2-[1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-3-phenyl-N~1~-propyl-2-propenamide

V028-3986 Screening compound: (E)-N~1~-{2-[1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-3-phenyl-N~1~-propyl-2-propenamide
V028-3986 Screening compound: (E)-N~1~-{2-[1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-3-phenyl-N~1~-propyl-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3986
(E)-N~1~-{2-[1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-3-phenyl-N~1~-propyl-2-propenamide

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

V028-3986

Molecular Formula

C27H28FN3O2 (C27 H28 FN3 O2)

Compound Name

(E)-N~1~-{2-[1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-3-phenyl-N~1~-propyl-2-propenamide

IUPAC name

(2E)-N-{2-[1-(2-fluorophenyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl]-2-oxoethyl}-3-phenyl-N-propylprop-2-enamide

SMILES

CCCN(CC(N(CCn1c2ccc1)C2c(cccc1)c1F)=O)C(/C=C/c1ccccc1)=O

InChI

InChI=1S/C27H28FN3O2/c1-2-16-30(25(32)15-14-21-9-4-3-5-10-21)20-26(33)31-19-18-29-17-8-13-24(29)27(31)22-11-6-7-12-23(22)28/h3-15,17,27H,2,16,18-20H2,1H3/t27-/m1/s1

InChI Key

QGSPOZYSCWZFRP-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14431338

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.50

Polar Surface Area

33.767

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.93

V028-3986 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V028-3986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3986?
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What is the minimum amount of V028-3986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3986
  • 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 V028-3986 available by request