1013-0355 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl 2-iodobenzoate

1013-0355 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl 2-iodobenzoate
1013-0355 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0355
4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl 2-iodobenzoate

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

1013-0355

Molecular Formula

C29H34IN7O3 (C29 H34 IN7 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)cc1)c1OC(c(cccc1)c1I)=O

InChI

InChI=1S/C29H34IN7O3/c1-2-39-25-19-21(13-14-24(25)40-26(38)22-11-5-6-12-23(22)30)20-31-35-27-32-28(36-15-7-3-8-16-36)34-29(33-27)37-17-9-4-10-18-37/h5-6,11-14,19-20H,2-4,7-10,15-18H2,1H3,(H,32,33,34,35)

InChI Key

BWWYCKIHMOONCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

655.54

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

7.749

Distribution Coefficient, logD

7.656

Water Solubility, LogSw

-5.73

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

41.40

1013-0355 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 1013-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1013-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0355
  • 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 1013-0355 available by request