V007-3902 Screening compound: N-({[(4-fluorophenyl)methyl]carbamoyl}[1-(4-methylbenzenesulfonyl)piperidin-4-yl]methyl)-3-methylbutanamide

V007-3902 Screening compound: N-({[(4-fluorophenyl)methyl]carbamoyl}[1-(4-methylbenzenesulfonyl)piperidin-4-yl]methyl)-3-methylbutanamide
V007-3902 Screening compound: N-({[(4-fluorophenyl)methyl]carbamoyl}[1-(4-methylbenzenesulfonyl)piperidin-4-yl]methyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-3902
N-({[(4-fluorophenyl)methyl]carbamoyl}[1-(4-methylbenzenesulfonyl)piperidin-4-yl]methyl)-3-methylbutanamide

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

V007-3902

Molecular Formula

C26H34FN3O4S (C26 H34 FN3 O4 S)

Compound Name

N-({[(4-fluorophenyl)methyl]carbamoyl}[1-(4-methylbenzenesulfonyl)piperidin-4-yl]methyl)-3-methylbutanamide

IUPAC name

N-({[(4-fluorophenyl)methyl]carbamoyl}[1-(4-methylbenzenesulfonyl)piperidin-4-yl]methyl)-3-methylbutanamide

SMILES

CC(C)CC(NC(C(CC1)CCN1S(c1ccc(C)cc1)(=O)=O)C(NCc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C26H34FN3O4S/c1-18(2)16-24(31)29-25(26(32)28-17-20-6-8-22(27)9-7-20)21-12-14-30(15-13-21)35(33,34)23-10-4-19(3)5-11-23/h4-11,18,21,25H,12-17H2,1-3H3,(H,28,32)(H,29,31)/t25-/m0/s1

InChI Key

CUNUNNIAGQAVLD-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19870339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.64

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

3.901

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-3.84

Polar Surface Area

80.186

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V007-3902 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V007-3902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-3902?
Check Price and Availability of V007-3902, 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 V007-3902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-3902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-3902
  • 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 V007-3902 available by request