F924-0245 Screening compound: N~6~-(sec-butyl)-2-(4-chlorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carboxamide

F924-0245 Screening compound: N~6~-(sec-butyl)-2-(4-chlorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carboxamide
F924-0245 Screening compound: N~6~-(sec-butyl)-2-(4-chlorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F924-0245
N~6~-(sec-butyl)-2-(4-chlorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-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

F924-0245

Molecular Formula

C18H20ClN5OS (C18 H20 ClN5 OS)

Compound Name

N~6~-(sec-butyl)-2-(4-chlorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carboxamide

IUPAC name

N-(butan-2-yl)-4-(4-chlorophenyl)-7-thia-23510-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)35-triene-10-carboxamide

SMILES

CCC(C)NC(N(CC1)Cc2c1n1nc(-c(cc3)ccc3Cl)nc1s2)=O

InChI

InChI=1S/C18H20ClN5OS/c1-3-11(2)20-17(25)23-9-8-14-15(10-23)26-18-21-16(22-24(14)18)12-4-6-13(19)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,20,25)/t11-/m0/s1

InChI Key

WRXOHKODPJASOK-NSHDSACASA-N

MDL Number (MFCD)

MFCD27204393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.51

Polar Surface Area

50.260

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

F924-0245 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 F924-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F924-0245?
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What is the minimum amount of F924-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F924-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F924-0245
  • 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 F924-0245 available by request