8341-0082 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]naphthalene-1-carboxamide

8341-0082 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]naphthalene-1-carboxamide
8341-0082 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]naphthalene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8341-0082
N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]naphthalene-1-carboxamide

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

8341-0082

Molecular Formula

C28H25ClN6O (C28 H25 ClN6 O)

Compound Name

N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]naphthalene-1-carboxamide

IUPAC name

N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(46-dimethylpyrimidin-2-yl)amino]methylidene]naphthalene-1-carboxamide

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3Cl)=N/C(c2cccc3ccccc23)=O)nc(C)c1

InChI

InChI=1S/C28H25ClN6O/c1-17-14-18(2)33-28(32-17)35-27(30-13-12-20-16-31-25-11-10-21(29)15-24(20)25)34-26(36)23-9-5-7-19-6-3-4-8-22(19)23/h3-11,14-16,31H,12-13H2,1-2H3,(H2,30,32,33,34,35,36)

InChI Key

OUOCNNFZPYWAGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-5.70

Polar Surface Area

70.610

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8341-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8341-0082?
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What is the minimum amount of 8341-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8341-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8341-0082
  • 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 8341-0082 available by request