8002-9413 Screening compound: N-(3-bromophenyl)-4-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazin-1-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

8002-9413 Screening compound: N-(3-bromophenyl)-4-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazin-1-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
8002-9413 Screening compound: N-(3-bromophenyl)-4-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazin-1-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9413
N-(3-bromophenyl)-4-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazin-1-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-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

8002-9413

Molecular Formula

C20H19BrClN7O (C20 H19 BrClN7 O)

Compound Name

N-(3-bromophenyl)-4-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazin-1-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

IUPAC name

N-(3-bromophenyl)-4-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazin-1-yl]-6-(morpholin-4-yl)-135-triazin-2-amine

SMILES

Clc1cccc(/C=N/Nc2nc(Nc3cccc(Br)c3)nc(N3CCOCC3)n2)c1

InChI

InChI=1S/C20H19BrClN7O/c21-15-4-2-6-17(12-15)24-18-25-19(27-20(26-18)29-7-9-30-10-8-29)28-23-13-14-3-1-5-16(22)11-14/h1-6,11-13H,7-10H2,(H2,24,25,26,27,28)

InChI Key

COKJFTQPBCQQFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00342200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.387

Distribution Coefficient, logD

6.387

Water Solubility, LogSw

-6.60

Polar Surface Area

72.711

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8002-9413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9413?
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What is the minimum amount of 8002-9413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9413
  • 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 8002-9413 available by request