S812-2843 Screening compound: [9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl][5-(1H-1,2,4-triazol-1-ylmethyl)-2-furyl]methanone

S812-2843 Screening compound: [9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl][5-(1H-1,2,4-triazol-1-ylmethyl)-2-furyl]methanone
S812-2843 Screening compound: [9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl][5-(1H-1,2,4-triazol-1-ylmethyl)-2-furyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-2843
[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl][5-(1H-1,2,4-triazol-1-ylmethyl)-2-furyl]methanone

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

S812-2843

Molecular Formula

C17H20N6O2 (C17 H20 N6 O2)

Compound Name

[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl][5-(1H-1,2,4-triazol-1-ylmethyl)-2-furyl]methanone

IUPAC name

1-[(5-{9-ethyl-5H6H7H8H9H-imidazo[12-a][14]diazepine-8-carbonyl}furan-2-yl)methyl]-1H-124-triazole

SMILES

CCC(c1nccn1CCC1)N1C(c1ccc(Cn2ncnc2)o1)=O

InChI

InChI=1S/C17H20N6O2/c1-2-14-16-19-6-9-21(16)7-3-8-23(14)17(24)15-5-4-13(25-15)10-22-12-18-11-20-22/h4-6,9,11-12,14H,2-3,7-8,10H2,1H3

InChI Key

QZOQXFNUXXDNCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30460331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.799

Distribution Coefficient, logD

0.782

Water Solubility, LogSw

-1.24

Polar Surface Area

61.745

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S812-2843 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 S812-2843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-2843?
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What is the minimum amount of S812-2843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-2843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-2843
  • 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 S812-2843 available by request