K401-2071 Screening compound: N-[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide

K401-2071 Screening compound: N-[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
K401-2071 Screening compound: N-[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K401-2071
N-[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-(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

K401-2071

Molecular Formula

C19H12F3N5O2S3 (C19 H12 F3 N5 O2 S3)

Compound Name

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

IUPAC name

N-[5-({[(13-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-134-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide

SMILES

O=C(CSc1nnc(NC(c2c(C(F)(F)F)cccc2)=O)s1)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C19H12F3N5O2S3/c20-19(21,22)11-6-2-1-5-10(11)15(29)25-17-26-27-18(32-17)30-9-14(28)24-16-23-12-7-3-4-8-13(12)31-16/h1-8H,9H2,(H,23,24,28)(H,25,26,29)

InChI Key

ZMATZLBDBYKPOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

2.862

Water Solubility, LogSw

-4.84

Polar Surface Area

78.875

Acid Dissociation Constant (pKa)

5.23

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

K401-2071 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K401-2071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K401-2071?
Check Price and Availability of K401-2071, 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 K401-2071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K401-2071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K401-2071
  • 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 K401-2071 available by request