F913-0749 Screening compound: N-[4-(cycloheptylcarbamoyl)phenyl]-5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

F913-0749 Screening compound: N-[4-(cycloheptylcarbamoyl)phenyl]-5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
F913-0749 Screening compound: N-[4-(cycloheptylcarbamoyl)phenyl]-5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F913-0749
N-[4-(cycloheptylcarbamoyl)phenyl]-5-[(3,4-dimethoxyphenoxy)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

F913-0749

Molecular Formula

C26H30N4O5S (C26 H30 N4 O5 S)

Compound Name

N-[4-(cycloheptylcarbamoyl)phenyl]-5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-[4-(cycloheptylcarbamoyl)phenyl]-5-[(34-dimethoxyphenoxy)methyl]-134-thiadiazole-2-carboxamide

SMILES

COc(ccc(OCc1nnc(C(Nc(cc2)ccc2C(NC2CCCCCC2)=O)=O)s1)c1)c1OC

InChI

InChI=1S/C26H30N4O5S/c1-33-21-14-13-20(15-22(21)34-2)35-16-23-29-30-26(36-23)25(32)28-19-11-9-17(10-12-19)24(31)27-18-7-5-3-4-6-8-18/h9-15,18H,3-8,16H2,1-2H3,(H,27,31)(H,28,32)

InChI Key

GAQVYLBRKBWKEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.61

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

4.043

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.21

Polar Surface Area

94.287

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

F913-0749 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F913-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F913-0749?
Check Price and Availability of F913-0749, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F913-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F913-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F913-0749
  • 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 F913-0749 available by request