4896-3562 Screening compound: 3-[(2Z,5Z)-2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-6-chloro-7-methyl-2,3-dihydro-1H-indol-2-one

4896-3562 Screening compound: 3-[(2Z,5Z)-2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-6-chloro-7-methyl-2,3-dihydro-1H-indol-2-one
4896-3562 Screening compound: 3-[(2Z,5Z)-2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-6-chloro-7-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3562
3-[(2Z,5Z)-2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-6-chloro-7-methyl-2,3-dihydro-1H-indol-2-one

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

4896-3562

Molecular Formula

C18H11BrClN3O2S (C18 H11 BrClN3 O2 S)

Compound Name

3-[(2Z,5Z)-2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-6-chloro-7-methyl-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(2Z5Z)-2-[(4-bromophenyl)imino]-4-oxo-13-thiazolidin-5-ylidene]-6-chloro-7-methyl-23-dihydro-1H-indol-2-one

SMILES

Cc(c(NC1=O)c(cc2)/C1=C(\C(N1)=O)/S/C1=N\c(cc1)ccc1Br)c2Cl

InChI

InChI=1S/C18H11BrClN3O2S/c1-8-12(20)7-6-11-13(16(24)22-14(8)11)15-17(25)23-18(26-15)21-10-4-2-9(19)3-5-10/h2-7H,1H3,(H,22,24)(H,21,23,25)

InChI Key

UQIVLPQRXFTEOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.276

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.52

Polar Surface Area

56.144

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4896-3562 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4896-3562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3562?
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What is the minimum amount of 4896-3562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3562
  • 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 4896-3562 available by request