1348-0546 Screening compound: 2-[2,4-dibromo-3-methyl-6-(propan-2-yl)phenoxy]-N'-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

1348-0546 Screening compound: 2-[2,4-dibromo-3-methyl-6-(propan-2-yl)phenoxy]-N'-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide
1348-0546 Screening compound: 2-[2,4-dibromo-3-methyl-6-(propan-2-yl)phenoxy]-N'-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-0546
2-[2,4-dibromo-3-methyl-6-(propan-2-yl)phenoxy]-N'-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

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

1348-0546

Molecular Formula

C20H18Br2N4O5 (C20 H18 Br2 N4 O5)

Compound Name

2-[2,4-dibromo-3-methyl-6-(propan-2-yl)phenoxy]-N'-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

IUPAC name

2-[24-dibromo-3-methyl-6-(propan-2-yl)phenoxy]-N'-[(3Z)-5-nitro-2-oxo-23-dihydro-1H-indol-3-ylidene]acetohydrazide

SMILES

CC(C)c1cc(Br)c(C)c(Br)c1OCC(N/N=C(/c(cc(cc1)[N+]([O-])=O)c1N1)\C1=O)=O

InChI

InChI=1S/C20H18Br2N4O5/c1-9(2)12-7-14(21)10(3)17(22)19(12)31-8-16(27)24-25-18-13-6-11(26(29)30)4-5-15(13)23-20(18)28/h4-7,9H,8H2,1-3H3,(H,24,27)(H,23,25,28)

InChI Key

VXLDYMGFVDFHCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

5.075

Water Solubility, LogSw

-4.88

Polar Surface Area

100.205

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 1348-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1348-0546?
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What is the minimum amount of 1348-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-0546
  • 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 1348-0546 available by request