1016-0001 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl 4-methylbenzoate

1016-0001 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl 4-methylbenzoate
1016-0001 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1016-0001
4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl 4-methylbenzoate

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

1016-0001

Molecular Formula

C30H37N7O3 (C30 H37 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)cc1)c1OC(c1ccc(C)cc1)=O

InChI

InChI=1S/C30H37N7O3/c1-3-39-26-20-23(12-15-25(26)40-27(38)24-13-10-22(2)11-14-24)21-31-35-28-32-29(36-16-6-4-7-17-36)34-30(33-28)37-18-8-5-9-19-37/h10-15,20-21H,3-9,16-19H2,1-2H3,(H,32,33,34,35)

InChI Key

YRCPBNIWCPBHCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00609467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.536

Distribution Coefficient, logD

7.443

Water Solubility, LogSw

-5.62

Polar Surface Area

84.809

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

References: we are preparing a list of scientific research reports with 1016-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1016-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1016-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1016-0001
  • 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 1016-0001 available by request