K401-2104 Screening compound: N-{5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(trifluoromethyl)benzamide

K401-2104 Screening compound: N-{5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(trifluoromethyl)benzamide
K401-2104 Screening compound: N-{5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K401-2104
N-{5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(trifluoromethyl)benzamide

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

K401-2104

Molecular Formula

C16H13F3N6O2S4 (C16 H13 F3 N6 O2 S4)

Compound Name

N-{5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(trifluoromethyl)benzamide

IUPAC name

N-{5-[({[5-(ethylsulfanyl)-134-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-134-thiadiazol-2-yl}-3-(trifluoromethyl)benzamide

SMILES

CCSc1nnc(NC(CSc2nnc(NC(c3cc(C(F)(F)F)ccc3)=O)s2)=O)s1

InChI

InChI=1S/C16H13F3N6O2S4/c1-2-28-14-24-22-12(30-14)20-10(26)7-29-15-25-23-13(31-15)21-11(27)8-4-3-5-9(6-8)16(17,18)19/h3-6H,2,7H2,1H3,(H,20,22,26)(H,21,23,27)

InChI Key

VFVHPXFKAPRYMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.034

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-4.77

Polar Surface Area

92.019

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K401-2104 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 K401-2104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K401-2104?
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What is the minimum amount of K401-2104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K401-2104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K401-2104
  • 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 K401-2104 available by request