8013-7525 Screening compound: N-cyclopropyl-N-(5-{4-[4-(1-naphthyl)-1,3-thiazol-2-yl]piperazino}-2-nitrophenyl)amine

8013-7525 Screening compound: N-cyclopropyl-N-(5-{4-[4-(1-naphthyl)-1,3-thiazol-2-yl]piperazino}-2-nitrophenyl)amine
8013-7525 Screening compound: N-cyclopropyl-N-(5-{4-[4-(1-naphthyl)-1,3-thiazol-2-yl]piperazino}-2-nitrophenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7525
N-cyclopropyl-N-(5-{4-[4-(1-naphthyl)-1,3-thiazol-2-yl]piperazino}-2-nitrophenyl)amine

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

8013-7525

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

N-cyclopropyl-N-(5-{4-[4-(1-naphthyl)-1,3-thiazol-2-yl]piperazino}-2-nitrophenyl)amine

IUPAC name

N-cyclopropyl-5-{4-[4-(naphthalen-1-yl)-13-thiazol-2-yl]piperazin-1-yl}-2-nitroaniline

SMILES

[O-][N+](c(ccc(N(CC1)CCN1c1nc(-c2cccc3ccccc23)cs1)c1)c1NC1CC1)=O

InChI

InChI=1S/C26H25N5O2S/c32-31(33)25-11-10-20(16-23(25)27-19-8-9-19)29-12-14-30(15-13-29)26-28-24(17-34-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-7,10-11,16-17,19,27H,8-9,12-15H2

InChI Key

TWNKOLPZRZJTJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03197103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.225

Distribution Coefficient, logD

6.225

Water Solubility, LogSw

-7.18

Polar Surface Area

58.902

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

8013-7525 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8013-7525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7525?
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What is the minimum amount of 8013-7525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7525
  • 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 8013-7525 available by request