L888-0117 Screening compound: 3-({3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile

L888-0117 Screening compound: 3-({3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile
L888-0117 Screening compound: 3-({3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L888-0117
3-({3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile

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

L888-0117

Molecular Formula

C19H21N7O2S2 (C19 H21 N7 O2 S2)

Compound Name

3-({3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile

IUPAC name

3-({3-[5-(ethylsulfanyl)-4-methyl-4H-124-triazol-3-yl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}sulfonyl)benzonitrile

SMILES

CCSc1nnc(-c2nn(C)c(CC3)c2CN3S(c2cc(C#N)ccc2)(=O)=O)n1C

InChI

InChI=1S/C19H21N7O2S2/c1-4-29-19-22-21-18(24(19)2)17-15-12-26(9-8-16(15)25(3)23-17)30(27,28)14-7-5-6-13(10-14)11-20/h5-7,10H,4,8-9,12H2,1-3H3

InChI Key

JCDPVMQRTDWTKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.579

Distribution Coefficient, logD

1.571

Water Solubility, LogSw

-2.39

Polar Surface Area

88.769

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with L888-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0117?
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What is the minimum amount of L888-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0117
  • 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 L888-0117 available by request