S812-3532 Screening compound: 4-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}pyridin-2-ol

S812-3532 Screening compound: 4-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}pyridin-2-ol
S812-3532 Screening compound: 4-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}pyridin-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-3532
4-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}pyridin-2-ol

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

S812-3532

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

4-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}pyridin-2-ol

IUPAC name

4-{9-cyclopentyl-5H6H7H8H9H-imidazo[12-a][14]diazepine-8-carbonyl}pyridin-2-ol

SMILES

Oc1nccc(C(N2C(C3CCCC3)c3nccn3CCC2)=O)c1

InChI

InChI=1S/C18H22N4O2/c23-15-12-14(6-7-19-15)18(24)22-10-3-9-21-11-8-20-17(21)16(22)13-4-1-2-5-13/h6-8,11-13,16H,1-5,9-10H2,(H,19,23)/t16-/m0/s1

InChI Key

YLQNTAOFRFLLAP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30465433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.275

Distribution Coefficient, logD

1.223

Water Solubility, LogSw

-1.58

Polar Surface Area

55.568

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S812-3532 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S812-3532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-3532?
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What is the minimum amount of S812-3532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-3532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-3532
  • 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 S812-3532 available by request