3229-2827 Screening compound: 4-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 2-iodobenzoate

3229-2827 Screening compound: 4-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 2-iodobenzoate
3229-2827 Screening compound: 4-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2827
4-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 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

3229-2827

Molecular Formula

C26H28IN7O3 (C26 H28 IN7 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1)cc1)c1OC(c(cccc1)c1I)=O

InChI

InChI=1S/C26H28IN7O3/c1-36-22-16-18(10-11-21(22)37-23(35)19-8-2-3-9-20(19)27)17-28-32-24-29-25(33-12-4-5-13-33)31-26(30-24)34-14-6-7-15-34/h2-3,8-11,16-17H,4-7,12-15H2,1H3,(H,29,30,31,32)

InChI Key

NRMIZAIKWOXSRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01361715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.46

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

6.938

Distribution Coefficient, logD

6.845

Water Solubility, LogSw

-5.76

Polar Surface Area

85.962

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with 3229-2827 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2827
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2827
  • 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 3229-2827 available by request