Y042-9909 Screening compound: 4-(4-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

Y042-9909 Screening compound: 4-(4-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
Y042-9909 Screening compound: 4-(4-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-9909
4-(4-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

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

Y042-9909

Molecular Formula

C12H12BrN3 (C12 H12 BrN3)

Compound Name

4-(4-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

IUPAC name

4-(4-bromophenyl)-3H4H5H6H7H-imidazo[45-c]pyridine

SMILES

Brc1ccc(C2NCCc3c2[nH]cn3)cc1

InChI

InChI=1S/C12H12BrN3/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)15-7-16-12/h1-4,7,11,14H,5-6H2,(H,15,16)/t11-/m1/s1

InChI Key

GMMSKJVTKVQVLR-LLVKDONJSA-N

MDL Number (MFCD)

MFCD09749762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.15

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.756

Distribution Coefficient, logD

1.282

Water Solubility, LogSw

-1.64

Polar Surface Area

35.348

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y042-9909 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y042-9909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-9909?
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What is the minimum amount of Y042-9909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-9909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-9909
  • 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 Y042-9909 available by request