G713-0969 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

G713-0969 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
G713-0969 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G713-0969
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-N-(4-fluorophenyl)-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

G713-0969

Molecular Formula

C20H17FN4O4S (C20 H17 FN4 O4 S)

Compound Name

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

IUPAC name

5-(2-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(CCc1nnc(C(Nc(cc2)ccc2F)=O)s1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H17FN4O4S/c21-13-2-4-14(5-3-13)23-19(27)20-25-24-18(30-20)8-7-17(26)22-10-12-1-6-15-16(9-12)29-11-28-15/h1-6,9H,7-8,10-11H2,(H,22,26)(H,23,27)

InChI Key

WSDNZKAETWDKEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.560

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-3.12

Polar Surface Area

88.644

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G713-0969 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G713-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G713-0969?
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What is the minimum amount of G713-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G713-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G713-0969
  • 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 G713-0969 available by request