SC27-2352 Screening compound: 2-(2-chloro-4-fluorobenzyl)-N-[2-(isopropylamino)-2-oxoethyl]-N-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

SC27-2352 Screening compound: 2-(2-chloro-4-fluorobenzyl)-N-[2-(isopropylamino)-2-oxoethyl]-N-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SC27-2352 Screening compound: 2-(2-chloro-4-fluorobenzyl)-N-[2-(isopropylamino)-2-oxoethyl]-N-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC27-2352
2-(2-chloro-4-fluorobenzyl)-N-[2-(isopropylamino)-2-oxoethyl]-N-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

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

SC27-2352

Molecular Formula

C20H25ClFN5O3 (C20 H25 ClFN5 O3)

Compound Name

2-(2-chloro-4-fluorobenzyl)-N-[2-(isopropylamino)-2-oxoethyl]-N-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

IUPAC name

2-(1-{2-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2H3H5H6H7H8H-[124]triazolo[43-a]pyridin-8-yl}-N-methylformamido)-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN(C)C(C(CCCN12)C2=NN(Cc(ccc(F)c2)c2Cl)C1=O)=O)=O

InChI

InChI=1S/C20H25ClFN5O3/c1-12(2)23-17(28)11-25(3)19(29)15-5-4-8-26-18(15)24-27(20(26)30)10-13-6-7-14(22)9-16(13)21/h6-7,9,12,15H,4-5,8,10-11H2,1-3H3,(H,23,28)/t15-/m1/s1

InChI Key

YCPOGMLSHXZABM-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-3.33

Polar Surface Area

72.073

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC27-2352 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC27-2352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC27-2352?
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What is the minimum amount of SC27-2352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC27-2352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC27-2352
  • 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 SC27-2352 available by request