4541-1769 Screening compound: N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitroaniline

4541-1769 Screening compound: N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitroaniline
4541-1769 Screening compound: N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4541-1769
N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitroaniline

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

4541-1769

Molecular Formula

C29H35FN4O3 (C29 H35 FN4 O3)

Compound Name

N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitroaniline

IUPAC name

N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitroaniline

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)Nc(cc(cc1)N(CC2)CCN2C(c(cc2)ccc2F)=O)c1[N+]([O-])=O

InChI

InChI=1S/C29H35FN4O3/c1-19(29-16-20-12-21(17-29)14-22(13-20)18-29)31-26-15-25(6-7-27(26)34(36)37)32-8-10-33(11-9-32)28(35)23-2-4-24(30)5-3-23/h2-7,15,19-22,31H,8-14,16-18H2,1H3/t19-,20?,21?,22?,29?/m0/s1

InChI Key

VLMZNHSRMDNQGA-HFESIUDZSA-N

MDL Number (MFCD)

MFCD03017570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.646

Distribution Coefficient, logD

5.646

Water Solubility, LogSw

-5.52

Polar Surface Area

61.961

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.20

References: we are preparing a list of scientific research reports with 4541-1769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4541-1769?
Check Price and Availability of 4541-1769, 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 4541-1769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4541-1769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4541-1769
  • 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 4541-1769 available by request