S840-0173 Screening compound: 1-{4-[8-(3-hydroxypropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl]piperidino}-2-methyl-1-propanone

S840-0173 Screening compound: 1-{4-[8-(3-hydroxypropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl]piperidino}-2-methyl-1-propanone
S840-0173 Screening compound: 1-{4-[8-(3-hydroxypropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl]piperidino}-2-methyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S840-0173
1-{4-[8-(3-hydroxypropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl]piperidino}-2-methyl-1-propanone

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

S840-0173

Molecular Formula

C19H32N4O2 (C19 H32 N4 O2)

Compound Name

1-{4-[8-(3-hydroxypropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl]piperidino}-2-methyl-1-propanone

IUPAC name

1-{4-[8-(3-hydroxypropyl)-5H6H7H8H9H-imidazo[12-a][14]diazepin-9-yl]piperidin-1-yl}-2-methylpropan-1-one

SMILES

CC(C)C(N(CC1)CCC1C1N(CCCO)CCCn2c1ncc2)=O

InChI

InChI=1S/C19H32N4O2/c1-15(2)19(25)23-11-5-16(6-12-23)17-18-20-7-13-22(18)9-3-8-21(17)10-4-14-24/h7,13,15-17,24H,3-6,8-12,14H2,1-2H3/t17-/m0/s1

InChI Key

HUMIEBKZOLIELK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30468514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.783

Distribution Coefficient, logD

-1.444

Water Solubility, LogSw

-0.76

Polar Surface Area

49.778

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

S840-0173 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 S840-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S840-0173?
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What is the minimum amount of S840-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S840-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S840-0173
  • 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 S840-0173 available by request