E014-0037 Screening compound: 1-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]-4-(pyridin-2-yl)piperazine

E014-0037 Screening compound: 1-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]-4-(pyridin-2-yl)piperazine
E014-0037 Screening compound: 1-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E014-0037
1-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]-4-(pyridin-2-yl)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

E014-0037

Molecular Formula

C23H23N5OS (C23 H23 N5 OS)

Compound Name

1-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[46-dimethyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carbonyl]-4-(pyridin-2-yl)piperazine

SMILES

Cc1c(c(-n2cccc2)c(C(N(CC2)CCN2c2ncccc2)=O)s2)c2nc(C)c1

InChI

InChI=1S/C23H23N5OS/c1-16-15-17(2)25-22-19(16)20(27-9-5-6-10-27)21(30-22)23(29)28-13-11-26(12-14-28)18-7-3-4-8-24-18/h3-10,15H,11-14H2,1-2H3

InChI Key

QBDODJQTEGQWES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

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

4.527

Distribution Coefficient, logD

4.480

Water Solubility, LogSw

-4.51

Polar Surface Area

41.569

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E014-0037 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E014-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E014-0037?
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What is the minimum amount of E014-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E014-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E014-0037
  • 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 E014-0037 available by request