8008-0641 Screening compound: 6-chloro-N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

8008-0641 Screening compound: 6-chloro-N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
8008-0641 Screening compound: 6-chloro-N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0641
6-chloro-N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

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

8008-0641

Molecular Formula

C15H18ClN7O3 (C15 H18 ClN7 O3)

Compound Name

6-chloro-N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-chloro-N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(NCCN2CCOCC2)nc(Cl)n1)=O

InChI

InChI=1S/C15H18ClN7O3/c16-13-19-14(17-5-6-22-7-9-26-10-8-22)21-15(20-13)18-11-1-3-12(4-2-11)23(24)25/h1-4H,5-10H2,(H2,17,18,19,20,21)

InChI Key

JXAJQVIWLGZBES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01143413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.763

Water Solubility, LogSw

-3.82

Polar Surface Area

96.368

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8008-0641 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0641?
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What is the minimum amount of 8008-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0641
  • 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 8008-0641 available by request