4772-0462 Screening compound: N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(3,4,5-trimethoxyphenyl)methylidene]hydrazino}propanamide

4772-0462 Screening compound: N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(3,4,5-trimethoxyphenyl)methylidene]hydrazino}propanamide
4772-0462 Screening compound: N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(3,4,5-trimethoxyphenyl)methylidene]hydrazino}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0462
N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(3,4,5-trimethoxyphenyl)methylidene]hydrazino}propanamide

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

4772-0462

Molecular Formula

C24H30N4O6S (C24 H30 N4 O6 S)

Compound Name

N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(3,4,5-trimethoxyphenyl)methylidene]hydrazino}propanamide

IUPAC name

N-tert-butyl-3-[(2E)-1-(11-dioxo-1lambda62-benzothiazol-3-yl)-2-[(345-trimethoxyphenyl)methylidene]hydrazin-1-yl]propanamide

SMILES

CC(C)(C)NC(CCN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C24H30N4O6S/c1-24(2,3)26-21(29)11-12-28(23-17-9-7-8-10-20(17)35(30,31)27-23)25-15-16-13-18(32-4)22(34-6)19(14-16)33-5/h7-10,13-15H,11-12H2,1-6H3,(H,26,29)

InChI Key

XEGXGWWKFJVUEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03214984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.318

Distribution Coefficient, logD

2.318

Water Solubility, LogSw

-3.18

Polar Surface Area

97.446

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 4772-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0462?
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What is the minimum amount of 4772-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0462
  • 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 4772-0462 available by request