V001-3779 Screening compound: N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[(4-nitrophenyl)carbamoyl]amino}benzamide

V001-3779 Screening compound: N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[(4-nitrophenyl)carbamoyl]amino}benzamide
V001-3779 Screening compound: N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[(4-nitrophenyl)carbamoyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3779
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[(4-nitrophenyl)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

V001-3779

Molecular Formula

C31H36N6O5 (C31 H36 N6 O5)

Compound Name

N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[(4-nitrophenyl)carbamoyl]amino}benzamide

IUPAC name

N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[(4-nitrophenyl)carbamoyl]amino}benzamide

SMILES

COc(cccc1)c1N(CC1)CCN1c(ccc(NC(Nc(cc1)ccc1[N+]([O-])=O)=O)c1)c1C(NC1CCCCC1)=O

InChI

InChI=1S/C31H36N6O5/c1-42-29-10-6-5-9-28(29)36-19-17-35(18-20-36)27-16-13-24(21-26(27)30(38)32-22-7-3-2-4-8-22)34-31(39)33-23-11-14-25(15-12-23)37(40)41/h5-6,9-16,21-22H,2-4,7-8,17-20H2,1H3,(H,32,38)(H2,33,34,39)

InChI Key

LYHSCATUFSZCAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14239730

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

572.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.614

Distribution Coefficient, logD

6.614

Water Solubility, LogSw

-5.63

Polar Surface Area

103.803

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

V001-3779 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 V001-3779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3779?
Check Price and Availability of V001-3779, 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 V001-3779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3779
  • 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 V001-3779 available by request