3229-0987 Screening compound: 4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-chlorobenzoate

3229-0987 Screening compound: 4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-chlorobenzoate
3229-0987 Screening compound: 4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0987
4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-chlorobenzoate

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

3229-0987

Molecular Formula

C22H16ClN3O3S (C22 H16 ClN3 O3 S)

Compound Name

4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-chlorobenzoate

IUPAC name

4-[(E)-[2-(13-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-chlorobenzoate

SMILES

COc(cc(/C=N/Nc1nc(cccc2)c2s1)cc1)c1OC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H16ClN3O3S/c1-28-19-12-14(13-24-26-22-25-17-4-2-3-5-20(17)30-22)6-11-18(19)29-21(27)15-7-9-16(23)10-8-15/h2-13H,1H3,(H,25,26)

InChI Key

CDXAPZWHOYAPTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01361259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.294

Distribution Coefficient, logD

6.291

Water Solubility, LogSw

-6.40

Polar Surface Area

59.232

Acid Dissociation Constant (pKa)

15.32

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 3229-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0987?
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What is the minimum amount of 3229-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0987
  • 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 3229-0987 available by request