P613-0317 Screening compound: 1-(2-fluorophenyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carbonyl)piperazine

P613-0317 Screening compound: 1-(2-fluorophenyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carbonyl)piperazine
P613-0317 Screening compound: 1-(2-fluorophenyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P613-0317
1-(2-fluorophenyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carbonyl)piperazine

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

P613-0317

Molecular Formula

C22H20FN5OS (C22 H20 FN5 OS)

Compound Name

1-(2-fluorophenyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carbonyl)piperazine

IUPAC name

1-(2-fluorophenyl)-4-(2-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}-13-thiazole-4-carbonyl)piperazine

SMILES

Cn1c(nccc2)c2c(-c2nc(C(N(CC3)CCN3c(cccc3)c3F)=O)cs2)c1

InChI

InChI=1S/C22H20FN5OS/c1-26-13-16(15-5-4-8-24-20(15)26)21-25-18(14-30-21)22(29)28-11-9-27(10-12-28)19-7-3-2-6-17(19)23/h2-8,13-14H,9-12H2,1H3

InChI Key

LSAHOJWWCUGVJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.70

Polar Surface Area

42.046

Acid Dissociation Constant (pKa)

26.57

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P613-0317 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with P613-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P613-0317?
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What is the minimum amount of P613-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P613-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P613-0317
  • 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 P613-0317 available by request