1195-0050 Screening compound: N-{1-[N-(4-bromophenyl)-N'-(2-butyl-2-hydroxyhexanoyl)hydrazinecarbonyl]ethyl}-4-methylbenzene-1-sulfonamide

1195-0050 Screening compound: N-{1-[N-(4-bromophenyl)-N'-(2-butyl-2-hydroxyhexanoyl)hydrazinecarbonyl]ethyl}-4-methylbenzene-1-sulfonamide
1195-0050 Screening compound: N-{1-[N-(4-bromophenyl)-N'-(2-butyl-2-hydroxyhexanoyl)hydrazinecarbonyl]ethyl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1195-0050
N-{1-[N-(4-bromophenyl)-N'-(2-butyl-2-hydroxyhexanoyl)hydrazinecarbonyl]ethyl}-4-methylbenzene-1-sulfonamide

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

1195-0050

Molecular Formula

C26H36BrN3O5S (C26 H36 BrN3 O5 S)

Compound Name

N-{1-[N-(4-bromophenyl)-N'-(2-butyl-2-hydroxyhexanoyl)hydrazinecarbonyl]ethyl}-4-methylbenzene-1-sulfonamide

IUPAC name

N-{1-[N-(4-bromophenyl)-N'-(2-butyl-2-hydroxyhexanoyl)hydrazinecarbonyl]ethyl}-4-methylbenzene-1-sulfonamide

SMILES

CCCCC(CCCC)(C(NN(C(C(C)NS(c1ccc(C)cc1)(=O)=O)=O)c(cc1)ccc1Br)=O)O

InChI

InChI=1S/C26H36BrN3O5S/c1-5-7-17-26(33,18-8-6-2)25(32)28-30(22-13-11-21(27)12-14-22)24(31)20(4)29-36(34,35)23-15-9-19(3)10-16-23/h9-16,20,29,33H,5-8,17-18H2,1-4H3,(H,28,32)/t20-/m0/s1

InChI Key

POOMFJUIZJPUDH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00807288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.829

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-5.20

Polar Surface Area

97.173

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 1195-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1195-0050?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1195-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1195-0050
  • 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 1195-0050 available by request