8007-2547 Screening compound: (E)-N-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-N'-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl}methanimidamide

8007-2547 Screening compound: (E)-N-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-N'-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl}methanimidamide
8007-2547 Screening compound: (E)-N-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-N'-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2547
(E)-N-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-N'-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl}methanimidamide

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

8007-2547

Molecular Formula

C24H23ClN8O3 (C24 H23 ClN8 O3)

Compound Name

(E)-N-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-N'-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl}methanimidamide

IUPAC name

(E)-N-[4-(benzylamino)-6-(dimethylamino)-135-triazin-2-yl]-N'-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl}methanimidamide

SMILES

CN(C)c1nc(NCc2ccccc2)nc(N/C=N/Cc2ccc(-c(ccc([N+]([O-])=O)c3)c3Cl)o2)n1

InChI

InChI=1S/C24H23ClN8O3/c1-32(2)24-30-22(27-13-16-6-4-3-5-7-16)29-23(31-24)28-15-26-14-18-9-11-21(36-18)19-10-8-17(33(34)35)12-20(19)25/h3-12,15H,13-14H2,1-2H3,(H2,26,27,28,29,30,31)

InChI Key

ADEZJZWTQULCAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113598

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

506.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.747

Distribution Coefficient, logD

5.321

Water Solubility, LogSw

-6.10

Polar Surface Area

104.935

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8007-2547 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 8007-2547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2547?
Check Price and Availability of 8007-2547, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8007-2547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2547
  • 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 8007-2547 available by request