1071-0001 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methyl-4-nitrobenzoate

1071-0001 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methyl-4-nitrobenzoate
1071-0001 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methyl-4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1071-0001
4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methyl-4-nitrobenzoate

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

1071-0001

Molecular Formula

C28H32N8O4 (C28 H32 N8 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)C(Oc2ccc(/C=N/Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C28H32N8O4/c1-20-18-22(10-13-24(20)36(38)39)25(37)40-23-11-8-21(9-12-23)19-29-33-26-30-27(34-14-4-2-5-15-34)32-28(31-26)35-16-6-3-7-17-35/h8-13,18-19H,2-7,14-17H2,1H3,(H,30,31,32,33)

InChI Key

RCJSCTQOWDRXDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00615682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

7.137

Distribution Coefficient, logD

7.113

Water Solubility, LogSw

-5.59

Polar Surface Area

110.593

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with 1071-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1071-0001?
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What is the minimum amount of 1071-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1071-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1071-0001
  • 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 1071-0001 available by request