F913-0998 Screening compound: 5-(methoxymethyl)-N-(4-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

F913-0998 Screening compound: 5-(methoxymethyl)-N-(4-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
F913-0998 Screening compound: 5-(methoxymethyl)-N-(4-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F913-0998
5-(methoxymethyl)-N-(4-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]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

F913-0998

Molecular Formula

C24H27N5O3S (C24 H27 N5 O3 S)

Compound Name

5-(methoxymethyl)-N-(4-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-(methoxymethyl)-N-(4-{[3-(1234-tetrahydroisoquinolin-2-yl)propyl]carbamoyl}phenyl)-134-thiadiazole-2-carboxamide

SMILES

COCc1nnc(C(Nc(cc2)ccc2C(NCCCN(CC2)Cc3c2cccc3)=O)=O)s1

InChI

InChI=1S/C24H27N5O3S/c1-32-16-21-27-28-24(33-21)23(31)26-20-9-7-18(8-10-20)22(30)25-12-4-13-29-14-11-17-5-2-3-6-19(17)15-29/h2-3,5-10H,4,11-16H2,1H3,(H,25,30)(H,26,31)

InChI Key

JKCZCOMQZFRENQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.58

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

2.369

Distribution Coefficient, logD

1.219

Water Solubility, LogSw

-2.83

Polar Surface Area

83.652

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F913-0998 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F913-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F913-0998?
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What is the minimum amount of F913-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F913-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F913-0998
  • 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 F913-0998 available by request