1348-1109 Screening compound: 3,5-dibromo-4-hydroxybenzaldehyde 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone

1348-1109 Screening compound: 3,5-dibromo-4-hydroxybenzaldehyde 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone
1348-1109 Screening compound: 3,5-dibromo-4-hydroxybenzaldehyde 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-1109
3,5-dibromo-4-hydroxybenzaldehyde 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone

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

1348-1109

Molecular Formula

C16H10Br2N6O (C16 H10 Br2 N6 O)

Compound Name

3,5-dibromo-4-hydroxybenzaldehyde 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone

IUPAC name

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

SMILES

Oc(c(Br)cc(/C=N/Nc1nnc(c(cccc2)c2[nH]2)c2n1)c1)c1Br

InChI

InChI=1S/C16H10Br2N6O/c17-10-5-8(6-11(18)14(10)25)7-19-23-16-21-15-13(22-24-16)9-3-1-2-4-12(9)20-15/h1-7,25H,(H2,20,21,23,24)

InChI Key

IKODWFTXWABOFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00653251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.1

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-4.21

Polar Surface Area

80.834

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1348-1109 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1348-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1348-1109?
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What is the minimum amount of 1348-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-1109
  • 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 1348-1109 available by request