4265-2490 Screening compound: N-[1-(adamantan-1-yl)ethyl]-5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitroaniline

4265-2490 Screening compound: N-[1-(adamantan-1-yl)ethyl]-5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitroaniline
4265-2490 Screening compound: N-[1-(adamantan-1-yl)ethyl]-5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4265-2490
N-[1-(adamantan-1-yl)ethyl]-5-[4-(benzenesulfonyl)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

4265-2490

Molecular Formula

C28H36N4O4S (C28 H36 N4 O4 S)

Compound Name

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

IUPAC name

5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-{1-[(3R5S7s)-adamantan-1-yl]ethyl}aniline

SMILES

CC(C1(C[C@H](C2)C3)C[C@H]3C[C@H]2C1)Nc(cc(cc1)N(CC2)CCN2S(c2ccccc2)(=O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C28H36N4O4S/c1-20(28-17-21-13-22(18-28)15-23(14-21)19-28)29-26-16-24(7-8-27(26)32(33)34)30-9-11-31(12-10-30)37(35,36)25-5-3-2-4-6-25/h2-8,16,20-23,29H,9-15,17-19H2,1H3/t20-,21?,22?,23?,28?/m0/s1

InChI Key

KKYKETVAZABVDI-IFDVCUOJSA-N

MDL Number (MFCD)

MFCD02173855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.703

Distribution Coefficient, logD

5.703

Water Solubility, LogSw

-5.57

Polar Surface Area

77.024

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 4265-2490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4265-2490?
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What is the minimum amount of 4265-2490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4265-2490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4265-2490
  • 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 4265-2490 available by request