F913-0009 Screening compound: N-{4-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

F913-0009 Screening compound: N-{4-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
F913-0009 Screening compound: N-{4-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F913-0009
N-{4-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)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

F913-0009

Molecular Formula

C21H21ClN4O3S (C21 H21 ClN4 O3 S)

Compound Name

N-{4-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-{4-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)methyl]-134-thiadiazole-2-carboxamide

SMILES

CCC(C)NC(c(cc1)ccc1NC(c1nnc(COc(cc2)ccc2Cl)s1)=O)=O

InChI

InChI=1S/C21H21ClN4O3S/c1-3-13(2)23-19(27)14-4-8-16(9-5-14)24-20(28)21-26-25-18(30-21)12-29-17-10-6-15(22)7-11-17/h4-11,13H,3,12H2,1-2H3,(H,23,27)(H,24,28)/t13-/m0/s1

InChI Key

USZSABDPJJJXFZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14970693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-4.21

Polar Surface Area

78.683

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

F913-0009 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F913-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F913-0009?
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What is the minimum amount of F913-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F913-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F913-0009
  • 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 F913-0009 available by request