V005-2776 Screening compound: N-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide

V005-2776 Screening compound: N-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide
V005-2776 Screening compound: N-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2776
N-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]thiophene-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

V005-2776

Molecular Formula

C29H31FN4O4S2 (C29 H31 FN4 O4 S2)

Compound Name

N-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide

IUPAC name

N-({1-benzyl-2-[(4-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide

SMILES

O=C(c1cccs1)N(CCN1CCOCC1)Cc(n1Cc2ccccc2)cnc1S(Cc(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C29H31FN4O4S2/c30-25-10-8-24(9-11-25)22-40(36,37)29-31-19-26(34(29)20-23-5-2-1-3-6-23)21-33(28(35)27-7-4-18-39-27)13-12-32-14-16-38-17-15-32/h1-11,18-19H,12-17,20-22H2

InChI Key

YIAUNJDTWJPWEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824807

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

582.72

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

3.448

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.33

Polar Surface Area

69.479

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V005-2776 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V005-2776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2776?
Check Price and Availability of V005-2776, 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 V005-2776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2776
  • 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 V005-2776 available by request