V008-7121 Screening compound: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)benzamide

V008-7121 Screening compound: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)benzamide
V008-7121 Screening compound: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7121
2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)benzamide

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

V008-7121

Molecular Formula

C32H39N5O2S (C32 H39 N5 O2 S)

Compound Name

2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)benzamide

IUPAC name

2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)benzamide

SMILES

CSc(cc1)ccc1NC(Nc(cc1)cc(C(NC2CCCCC2)=O)c1N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C32H39N5O2S/c1-40-28-15-12-26(13-16-28)34-32(39)35-27-14-17-30(29(22-27)31(38)33-25-10-6-3-7-11-25)37-20-18-36(19-21-37)23-24-8-4-2-5-9-24/h2,4-5,8-9,12-17,22,25H,3,6-7,10-11,18-21,23H2,1H3,(H,33,38)(H2,34,35,39)

InChI Key

PEFZVRAADOGMRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14239772

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

557.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.088

Distribution Coefficient, logD

6.943

Water Solubility, LogSw

-5.58

Polar Surface Area

63.372

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V008-7121 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V008-7121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7121?
Check Price and Availability of V008-7121, 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 V008-7121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7121
  • 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 V008-7121 available by request