C614-6459 Screening compound: 3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

C614-6459 Screening compound: 3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide
C614-6459 Screening compound: 3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6459
3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

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

C614-6459

Molecular Formula

C21H17F3N4O2S (C21 H17 F3 N4 O2 S)

Compound Name

3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

IUPAC name

3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[45-b]pyridin-2-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

SMILES

O=C(CCc1nc2cccnc2n1Cc1cccs1)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C21H17F3N4O2S/c22-21(23,24)30-15-7-5-14(6-8-15)26-19(29)10-9-18-27-17-4-1-11-25-20(17)28(18)13-16-3-2-12-31-16/h1-8,11-12H,9-10,13H2,(H,26,29)

InChI Key

SMUXVZYEIGSCMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.58

Polar Surface Area

50.883

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C614-6459 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C614-6459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6459?
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What is the minimum amount of C614-6459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6459
  • 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 C614-6459 available by request