4376-0327 Screening compound: 5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline

4376-0327 Screening compound: 5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline
4376-0327 Screening compound: 5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4376-0327
5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)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

4376-0327

Molecular Formula

C29H34N4O3 (C29 H34 N4 O3)

Compound Name

5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline

IUPAC name

5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline

SMILES

CC(C)(C)c(cc1)ccc1C(N(CC1)CCN1c(cc1)cc(NCCc2ccccc2)c1[N+]([O-])=O)=O

InChI

InChI=1S/C29H34N4O3/c1-29(2,3)24-11-9-23(10-12-24)28(34)32-19-17-31(18-20-32)25-13-14-27(33(35)36)26(21-25)30-16-15-22-7-5-4-6-8-22/h4-14,21,30H,15-20H2,1-3H3

InChI Key

OLCANIHATYPFPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02632037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.894

Distribution Coefficient, logD

5.894

Water Solubility, LogSw

-5.47

Polar Surface Area

62.606

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

4376-0327 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4376-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4376-0327?
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What is the minimum amount of 4376-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4376-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4376-0327
  • 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 4376-0327 available by request