F913-0327 Screening compound: N-[4-(azepane-1-carbonyl)phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

F913-0327 Screening compound: N-[4-(azepane-1-carbonyl)phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
F913-0327 Screening compound: N-[4-(azepane-1-carbonyl)phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F913-0327
N-[4-(azepane-1-carbonyl)phenyl]-5-[(2-methylphenoxy)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

F913-0327

Molecular Formula

C24H26N4O3S (C24 H26 N4 O3 S)

Compound Name

N-[4-(azepane-1-carbonyl)phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-[4-(azepane-1-carbonyl)phenyl]-5-[(2-methylphenoxy)methyl]-134-thiadiazole-2-carboxamide

SMILES

Cc(cccc1)c1OCc1nnc(C(Nc(cc2)ccc2C(N2CCCCCC2)=O)=O)s1

InChI

InChI=1S/C24H26N4O3S/c1-17-8-4-5-9-20(17)31-16-21-26-27-23(32-21)22(29)25-19-12-10-18(11-13-19)24(30)28-14-6-2-3-7-15-28/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,25,29)

InChI Key

POCPERITBGJHKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.156

Water Solubility, LogSw

-4.21

Polar Surface Area

71.622

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F913-0327 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 F913-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F913-0327?
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What is the minimum amount of F913-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F913-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F913-0327
  • 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 F913-0327 available by request