2039-0495 Screening compound: 4-[(2E)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-N-(4-fluorophenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

2039-0495 Screening compound: 4-[(2E)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-N-(4-fluorophenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
2039-0495 Screening compound: 4-[(2E)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-N-(4-fluorophenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0495
4-[(2E)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-N-(4-fluorophenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

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

2039-0495

Molecular Formula

C22H22Br2FN7O (C22 H22 Br2 FN7 O)

Compound Name

4-[(2E)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-N-(4-fluorophenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(2E)-2-[(35-dibromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-N-(4-fluorophenyl)-6-(piperidin-1-yl)-135-triazin-2-amine

SMILES

COc(c(/C=N/Nc1nc(N2CCCCC2)nc(Nc(cc2)ccc2F)n1)cc(Br)c1)c1Br

InChI

InChI=1S/C22H22Br2FN7O/c1-33-19-14(11-15(23)12-18(19)24)13-26-31-21-28-20(27-17-7-5-16(25)6-8-17)29-22(30-21)32-9-3-2-4-10-32/h5-8,11-13H,2-4,9-10H2,1H3,(H2,27,28,29,30,31)

InChI Key

ZRABLEYGSZXMGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.985

Distribution Coefficient, logD

7.985

Water Solubility, LogSw

-5.76

Polar Surface Area

72.519

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 2039-0495 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 2039-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0495
  • 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 2039-0495 available by request