4112-3470 Screening compound: N-(5-{2-[(4-acetamidophenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide

4112-3470 Screening compound: N-(5-{2-[(4-acetamidophenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide
4112-3470 Screening compound: N-(5-{2-[(4-acetamidophenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3470
N-(5-{2-[(4-acetamidophenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide

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

4112-3470

Molecular Formula

C22H19N5O2S2 (C22 H19 N5 O2 S2)

Compound Name

N-(5-{2-[(4-acetamidophenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide

IUPAC name

N-(5-{2-[(4-acetamidophenyl)amino]-13-thiazol-4-yl}-4-methyl-13-thiazol-2-yl)benzamide

SMILES

CC(Nc(cc1)ccc1Nc1nc(-c2c(C)nc(NC(c3ccccc3)=O)s2)cs1)=O

InChI

InChI=1S/C22H19N5O2S2/c1-13-19(31-22(23-13)27-20(29)15-6-4-3-5-7-15)18-12-30-21(26-18)25-17-10-8-16(9-11-17)24-14(2)28/h3-12H,1-2H3,(H,24,28)(H,25,26)(H,23,27,29)

InChI Key

JPMGNKRFEURFHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02045247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.65

Polar Surface Area

75.902

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4112-3470 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 4112-3470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3470?
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What is the minimum amount of 4112-3470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3470
  • 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 4112-3470 available by request