S812-4033 Screening compound: 2-methyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}pyridine

S812-4033 Screening compound: 2-methyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}pyridine
S812-4033 Screening compound: 2-methyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-4033
2-methyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}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

S812-4033

Molecular Formula

C20H20N4O (C20 H20 N4 O)

Compound Name

2-methyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}pyridine

IUPAC name

2-methyl-3-{9-phenyl-5H6H7H8H9H-imidazo[12-a][14]diazepine-8-carbonyl}pyridine

SMILES

Cc(nccc1)c1C(N(CCCn1c2ncc1)C2c1ccccc1)=O

InChI

InChI=1S/C20H20N4O/c1-15-17(9-5-10-21-15)20(25)24-13-6-12-23-14-11-22-19(23)18(24)16-7-3-2-4-8-16/h2-5,7-11,14,18H,6,12-13H2,1H3/t18-/m1/s1

InChI Key

KYNUIDCRTRYBCI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD30460367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.339

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-2.81

Polar Surface Area

38.327

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S812-4033 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S812-4033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-4033?
Check Price and Availability of S812-4033, 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 S812-4033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-4033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-4033
  • 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 S812-4033 available by request