P613-0553 Screening compound: methyl 3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-amido)benzoate

P613-0553 Screening compound: methyl 3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-amido)benzoate
P613-0553 Screening compound: methyl 3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P613-0553
methyl 3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-amido)benzoate

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

P613-0553

Molecular Formula

C21H18N4O3S (C21 H18 N4 O3 S)

Compound Name

methyl 3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-amido)benzoate

IUPAC name

methyl 3-(2-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}-13-thiazole-4-amido)benzoate

SMILES

CCn1c(nccc2)c2c(-c2nc(C(Nc3cc(C(OC)=O)ccc3)=O)cs2)c1

InChI

InChI=1S/C21H18N4O3S/c1-3-25-11-16(15-8-5-9-22-18(15)25)20-24-17(12-29-20)19(26)23-14-7-4-6-13(10-14)21(27)28-2/h4-12H,3H2,1-2H3,(H,23,26)

InChI Key

AHVUADLBDZHYIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-4.02

Polar Surface Area

65.873

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P613-0553 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P613-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P613-0553?
Check Price and Availability of P613-0553, 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 P613-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P613-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P613-0553
  • 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 P613-0553 available by request