V029-8117 Screening compound: N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

V029-8117 Screening compound: N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
V029-8117 Screening compound: N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8117
N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-(2-methoxyethyl)furan-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

V029-8117

Molecular Formula

C26H27N3O5S (C26 H27 N3 O5 S)

Compound Name

N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

IUPAC name

N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

SMILES

COCCN(Cc(n1Cc2ccccc2)cnc1S(Cc1ccccc1)(=O)=O)C(c1ccco1)=O

InChI

InChI=1S/C26H27N3O5S/c1-33-16-14-28(25(30)24-13-8-15-34-24)19-23-17-27-26(29(23)18-21-9-4-2-5-10-21)35(31,32)20-22-11-6-3-7-12-22/h2-13,15,17H,14,16,18-20H2,1H3

InChI Key

NBZPVYMLUXONJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829650

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.10

Polar Surface Area

73.762

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V029-8117 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V029-8117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8117?
Check Price and Availability of V029-8117, 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 V029-8117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8117
  • 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 V029-8117 available by request