0851-0625 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-3-methoxyphenyl 3-bromobenzoate

0851-0625 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-3-methoxyphenyl 3-bromobenzoate
0851-0625 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-3-methoxyphenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0851-0625
4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-3-methoxyphenyl 3-bromobenzoate

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

0851-0625

Molecular Formula

C28H32BrN7O3 (C28 H32 BrN7 O3)

Compound Name

4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-3-methoxyphenyl 3-bromobenzoate

IUPAC name

4-[(E)-{2-[46-bis(piperidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-3-methoxyphenyl 3-bromobenzoate

SMILES

COc1c(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc(OC(c2cccc(Br)c2)=O)c1

InChI

InChI=1S/C28H32BrN7O3/c1-38-24-18-23(39-25(37)20-9-8-10-22(29)17-20)12-11-21(24)19-30-34-26-31-27(35-13-4-2-5-14-35)33-28(32-26)36-15-6-3-7-16-36/h8-12,17-19H,2-7,13-16H2,1H3,(H,31,32,33,34)

InChI Key

WXFQPERVNVPUNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.861

Distribution Coefficient, logD

7.839

Water Solubility, LogSw

-5.68

Polar Surface Area

85.143

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

0851-0625 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0851-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0851-0625?
Check Price and Availability of 0851-0625, 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 0851-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0851-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0851-0625
  • 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 0851-0625 available by request