S840-0003 Screening compound: 2-[4-(8-ethyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl)piperidino]-1-ethanol

S840-0003 Screening compound: 2-[4-(8-ethyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl)piperidino]-1-ethanol
S840-0003 Screening compound: 2-[4-(8-ethyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl)piperidino]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S840-0003
2-[4-(8-ethyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl)piperidino]-1-ethanol

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

S840-0003

Molecular Formula

C16H28N4O (C16 H28 N4 O)

Compound Name

2-[4-(8-ethyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl)piperidino]-1-ethanol

IUPAC name

2-(4-{8-ethyl-5H6H7H8H9H-imidazo[12-a][14]diazepin-9-yl}piperidin-1-yl)ethan-1-ol

SMILES

CCN1C(C2CCN(CCO)CC2)c2nccn2CCC1

InChI

InChI=1S/C16H28N4O/c1-2-19-7-3-8-20-11-6-17-16(20)15(19)14-4-9-18(10-5-14)12-13-21/h6,11,14-15,21H,2-5,7-10,12-13H2,1H3/t15-/m0/s1

InChI Key

WTQRAYNDLYINDR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31994179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.540

Distribution Coefficient, logD

-1.594

Water Solubility, LogSw

-0.58

Polar Surface Area

36.587

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.25

S840-0003 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S840-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S840-0003?
Check Price and Availability of S840-0003, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S840-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S840-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S840-0003
  • 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 S840-0003 available by request