G664-0011 Screening compound: 1-pyrrolidinyl[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]methanone

G664-0011 Screening compound: 1-pyrrolidinyl[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]methanone
G664-0011 Screening compound: 1-pyrrolidinyl[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound G664-0011
1-pyrrolidinyl[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]methanone

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

G664-0011

Molecular Formula

C16H15N3OS (C16 H15 N3 OS)

Compound Name

1-pyrrolidinyl[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]methanone

IUPAC name

1-[2-(pyrrolidine-1-carbonyl)thieno[23-b]pyridin-3-yl]-1H-pyrrole

SMILES

O=C(c(sc1ncccc11)c1-n1cccc1)N1CCCC1

InChI

InChI=1S/C16H15N3OS/c20-16(19-10-3-4-11-19)14-13(18-8-1-2-9-18)12-6-5-7-17-15(12)21-14/h1-2,5-9H,3-4,10-11H2

InChI Key

IHYLDRAHMFLXKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27150160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.08

Polar Surface Area

30.789

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G664-0011 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with G664-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G664-0011?
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What is the minimum amount of G664-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G664-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G664-0011
  • 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 G664-0011 available by request