S812-1461 Screening compound: 4-[8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepin-9-yl]-1-methyl-1H-pyrazole

S812-1461 Screening compound: 4-[8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepin-9-yl]-1-methyl-1H-pyrazole
S812-1461 Screening compound: 4-[8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepin-9-yl]-1-methyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-1461
4-[8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepin-9-yl]-1-methyl-1H-pyrazole

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

S812-1461

Molecular Formula

C17H21N7O (C17 H21 N7 O)

Compound Name

4-[8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepin-9-yl]-1-methyl-1H-pyrazole

IUPAC name

n/a

SMILES

Cc1nn(C)c(C(N2C(c3cn(C)nc3)c3nccn3CCC2)=O)c1

InChI

InChI=1S/C17H21N7O/c1-12-9-14(22(3)20-12)17(25)24-7-4-6-23-8-5-18-16(23)15(24)13-10-19-21(2)11-13/h5,8-11,15H,4,6-7H2,1-3H3/t15-/m0/s1

InChI Key

WCPCUVPLELUQBL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30460307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.317

Distribution Coefficient, logD

-1.577

Water Solubility, LogSw

-0.72

Polar Surface Area

56.834

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S812-1461 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 S812-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-1461?
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What is the minimum amount of S812-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-1461
  • 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 S812-1461 available by request