4327-0177 Screening compound: N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]aniline

4327-0177 Screening compound: N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]aniline
4327-0177 Screening compound: N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-0177
N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]aniline

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

4327-0177

Molecular Formula

C28H35N5O6S (C28 H35 N5 O6 S)

Compound Name

N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]aniline

IUPAC name

N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]aniline

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)Nc(cc(cc1)N(CC2)CCN2S(c2cc([N+]([O-])=O)ccc2)(=O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C28H35N5O6S/c1-19(28-16-20-11-21(17-28)13-22(12-20)18-28)29-26-15-23(5-6-27(26)33(36)37)30-7-9-31(10-8-30)40(38,39)25-4-2-3-24(14-25)32(34)35/h2-6,14-15,19-22,29H,7-13,16-18H2,1H3/t19-,20?,21?,22?,28?/m0/s1

InChI Key

TWSIHHOLEDLUNX-ZBBKGZSWSA-N

MDL Number (MFCD)

MFCD02627820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.749

Distribution Coefficient, logD

5.749

Water Solubility, LogSw

-5.62

Polar Surface Area

110.405

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with 4327-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-0177?
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What is the minimum amount of 4327-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-0177
  • 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 4327-0177 available by request