V028-7654 Screening compound: (2S)-N-[3-(benzoylamino)propyl]-1-{[(E)-2-phenyl-1-ethenyl]sulfonyl}tetrahydro-1H-pyrrole-2-carboxamide

V028-7654 Screening compound: (2S)-N-[3-(benzoylamino)propyl]-1-{[(E)-2-phenyl-1-ethenyl]sulfonyl}tetrahydro-1H-pyrrole-2-carboxamide
V028-7654 Screening compound: (2S)-N-[3-(benzoylamino)propyl]-1-{[(E)-2-phenyl-1-ethenyl]sulfonyl}tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7654
(2S)-N-[3-(benzoylamino)propyl]-1-{[(E)-2-phenyl-1-ethenyl]sulfonyl}tetrahydro-1H-pyrrole-2-carboxamide

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

V028-7654

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

(2S)-N-[3-(benzoylamino)propyl]-1-{[(E)-2-phenyl-1-ethenyl]sulfonyl}tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

n/a

SMILES

O=C(C(CCC1)N1S(/C=C/c1ccccc1)(=O)=O)NCCCNC(c1ccccc1)=O

InChI

InChI=1S/C23H27N3O4S/c27-22(20-11-5-2-6-12-20)24-15-8-16-25-23(28)21-13-7-17-26(21)31(29,30)18-14-19-9-3-1-4-10-19/h1-6,9-12,14,18,21H,7-8,13,15-17H2,(H,24,27)(H,25,28)/t21-/m0/s1

InChI Key

ZMAUJMAIODMPPS-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.760

Distribution Coefficient, logD

1.760

Water Solubility, LogSw

-2.38

Polar Surface Area

81.462

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

V028-7654 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V028-7654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7654?
Check Price and Availability of V028-7654, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V028-7654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7654
  • 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 V028-7654 available by request