5493-0072 Screening compound: methyl 2-{2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate

5493-0072 Screening compound: methyl 2-{2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
5493-0072 Screening compound: methyl 2-{2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5493-0072
methyl 2-{2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate

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

5493-0072

Molecular Formula

C27H20N4O3S2 (C27 H20 N4 O3 S2)

Compound Name

methyl 2-{2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate

IUPAC name

methyl 2-{2-[(46-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-13-benzothiazole-6-carboxylate

SMILES

COC(c(cc1)cc2c1nc(NC(CSc1nc(-c3ccccc3)cc(-c3ccccc3)n1)=O)s2)=O

InChI

InChI=1S/C27H20N4O3S2/c1-34-25(33)19-12-13-20-23(14-19)36-27(28-20)31-24(32)16-35-26-29-21(17-8-4-2-5-9-17)15-22(30-26)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,28,31,32)

InChI Key

FJAICQNOTAFFTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04326769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.073

Distribution Coefficient, logD

7.073

Water Solubility, LogSw

-5.71

Polar Surface Area

70.802

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

5493-0072 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 5493-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5493-0072?
Check Price and Availability of 5493-0072, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5493-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5493-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5493-0072
  • 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 5493-0072 available by request