1348-1452 Screening compound: 4-bromo-2-ethoxy-6-[(E)-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

1348-1452 Screening compound: 4-bromo-2-ethoxy-6-[(E)-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol
1348-1452 Screening compound: 4-bromo-2-ethoxy-6-[(E)-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-1452
4-bromo-2-ethoxy-6-[(E)-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

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

1348-1452

Molecular Formula

C18H15BrN6O2 (C18 H15 BrN6 O2)

Compound Name

4-bromo-2-ethoxy-6-[(E)-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

IUPAC name

4-bromo-2-ethoxy-6-[(E)-(2-{5H-[124]triazino[56-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

SMILES

CCOc(cc(cc1/C=N/Nc2nnc(c(cccc3)c3[nH]3)c3n2)Br)c1O

InChI

InChI=1S/C18H15BrN6O2/c1-2-27-14-8-11(19)7-10(16(14)26)9-20-24-18-22-17-15(23-25-18)12-5-3-4-6-13(12)21-17/h3-9,26H,2H2,1H3,(H2,21,22,24,25)

InChI Key

VSGBNRVEBAUMFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00659808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.333

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.18

Polar Surface Area

88.045

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1348-1452 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 1348-1452 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1348-1452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-1452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-1452
  • 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 1348-1452 available by request