F912-0381 Screening compound: 5-[(2-methylphenoxy)methyl]-N-(3-{[2-(2-methylpiperidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

F912-0381 Screening compound: 5-[(2-methylphenoxy)methyl]-N-(3-{[2-(2-methylpiperidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
F912-0381 Screening compound: 5-[(2-methylphenoxy)methyl]-N-(3-{[2-(2-methylpiperidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F912-0381
5-[(2-methylphenoxy)methyl]-N-(3-{[2-(2-methylpiperidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-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

F912-0381

Molecular Formula

C26H31N5O3S (C26 H31 N5 O3 S)

Compound Name

5-[(2-methylphenoxy)methyl]-N-(3-{[2-(2-methylpiperidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[(2-methylphenoxy)methyl]-N-(3-{[2-(2-methylpiperidin-1-yl)ethyl]carbamoyl}phenyl)-134-thiadiazole-2-carboxamide

SMILES

CC1N(CCNC(c2cccc(NC(c3nnc(COc4c(C)cccc4)s3)=O)c2)=O)CCCC1

InChI

InChI=1S/C26H31N5O3S/c1-18-8-3-4-12-22(18)34-17-23-29-30-26(35-23)25(33)28-21-11-7-10-20(16-21)24(32)27-13-15-31-14-6-5-9-19(31)2/h3-4,7-8,10-12,16,19H,5-6,9,13-15,17H2,1-2H3,(H,27,32)(H,28,33)/t19-/m0/s1

InChI Key

IFQDOMVDEZCSBQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14970444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-3.93

Polar Surface Area

82.331

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with F912-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F912-0381?
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What is the minimum amount of F912-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F912-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F912-0381
  • 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 F912-0381 available by request