L849-1685 Screening compound: methyl 2-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

L849-1685 Screening compound: methyl 2-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
L849-1685 Screening compound: methyl 2-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1685
methyl 2-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

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

L849-1685

Molecular Formula

C23H22N6O3S (C23 H22 N6 O3 S)

Compound Name

methyl 2-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 2-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-124-triazol-3-yl]sulfanyl}acetamido)benzoate

SMILES

Cn(cc1-c(n2C)nnc2SCC(Nc(cccc2)c2C(OC)=O)=O)nc1-c1ccccc1

InChI

InChI=1S/C23H22N6O3S/c1-28-13-17(20(27-28)15-9-5-4-6-10-15)21-25-26-23(29(21)2)33-14-19(30)24-18-12-8-7-11-16(18)22(31)32-3/h4-13H,14H2,1-3H3,(H,24,30)

InChI Key

NIIQSQAITPNODX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-2.96

Polar Surface Area

83.760

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L849-1685 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with L849-1685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1685?
Check Price and Availability of L849-1685, 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 L849-1685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1685
  • 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 L849-1685 available by request