F500-1110 Screening compound: N-(3-fluorophenyl)-5-[({[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}methoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

F500-1110 Screening compound: N-(3-fluorophenyl)-5-[({[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}methoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
F500-1110 Screening compound: N-(3-fluorophenyl)-5-[({[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}methoxy)methyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F500-1110
N-(3-fluorophenyl)-5-[({[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}methoxy)methyl]-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

F500-1110

Molecular Formula

C19H25FN6O3S (C19 H25 FN6 O3 S)

Compound Name

N-(3-fluorophenyl)-5-[({[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}methoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(3-fluorophenyl)-5-[({[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}methoxy)methyl]-134-thiadiazole-2-carboxamide

SMILES

CN1CCN(CCNC(COCc2nnc(C(Nc3cc(F)ccc3)=O)s2)=O)CC1

InChI

InChI=1S/C19H25FN6O3S/c1-25-7-9-26(10-8-25)6-5-21-16(27)12-29-13-17-23-24-19(30-17)18(28)22-15-4-2-3-14(20)11-15/h2-4,11H,5-10,12-13H2,1H3,(H,21,27)(H,22,28)

InChI Key

RKNYGSFFJSHPGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14956793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.188

Distribution Coefficient, logD

-0.480

Water Solubility, LogSw

-2.30

Polar Surface Area

87.264

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

F500-1110 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 F500-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F500-1110?
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What is the minimum amount of F500-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F500-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F500-1110
  • 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 F500-1110 available by request