T974-1885 Screening compound: 6',7'-dihydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'(1'H)-yl[3-(trifluoromethyl)phenyl]methanone

T974-1885 Screening compound: 6',7'-dihydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'(1'H)-yl[3-(trifluoromethyl)phenyl]methanone
T974-1885 Screening compound: 6',7'-dihydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'(1'H)-yl[3-(trifluoromethyl)phenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T974-1885
6',7'-dihydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'(1'H)-yl[3-(trifluoromethyl)phenyl]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

T974-1885

Molecular Formula

C18H18F3N3O (C18 H18 F3 N3 O)

Compound Name

6',7'-dihydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'(1'H)-yl[3-(trifluoromethyl)phenyl]methanone

IUPAC name

5'-[3-(trifluoromethyl)benzoyl]-1'5'6'7'-tetrahydrospiro[cyclopentane-14'-imidazo[45-c]pyridine]

SMILES

O=C(c1cccc(C(F)(F)F)c1)N(CC1)C2(CCCC2)c2c1[nH]cn2

InChI

InChI=1S/C18H18F3N3O/c19-18(20,21)13-5-3-4-12(10-13)16(25)24-9-6-14-15(23-11-22-14)17(24)7-1-2-8-17/h3-5,10-11H,1-2,6-9H2,(H,22,23)

InChI Key

SIMXLOKZUOWJQW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.36

Polar Surface Area

39.396

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

T974-1885 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T974-1885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T974-1885?
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What is the minimum amount of T974-1885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T974-1885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T974-1885
  • 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 T974-1885 available by request