P169-1663 Screening compound: N-({2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2,5-difluorobenzamide

P169-1663 Screening compound: N-({2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2,5-difluorobenzamide
P169-1663 Screening compound: N-({2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2,5-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P169-1663
N-({2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2,5-difluorobenzamide

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

P169-1663

Molecular Formula

C14H12F2N4OS (C14 H12 F2 N4 OS)

Compound Name

N-({2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2,5-difluorobenzamide

IUPAC name

N-({26-dimethylimidazo[21-b][134]thiadiazol-5-yl}methyl)-25-difluorobenzamide

SMILES

Cc1c(CNC(c(cc(cc2)F)c2F)=O)n2nc(C)sc2n1

InChI

InChI=1S/C14H12F2N4OS/c1-7-12(20-14(18-7)22-8(2)19-20)6-17-13(21)10-5-9(15)3-4-11(10)16/h3-5H,6H2,1-2H3,(H,17,21)

InChI Key

CBSWHTMRMHVWEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-3.00

Polar Surface Area

45.319

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

P169-1663 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 P169-1663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P169-1663?
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What is the minimum amount of P169-1663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P169-1663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P169-1663
  • 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 P169-1663 available by request