6313-0068 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide

6313-0068 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide
6313-0068 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6313-0068
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide

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

6313-0068

Molecular Formula

C13H12N4O2S2 (C13 H12 N4 O2 S2)

Compound Name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-2-(2-oxo-23-dihydro-13-benzothiazol-3-yl)acetamide

SMILES

CCc1nnc(NC(CN(c(cccc2)c2S2)C2=O)=O)s1

InChI

InChI=1S/C13H12N4O2S2/c1-2-11-15-16-12(21-11)14-10(18)7-17-8-5-3-4-6-9(8)20-13(17)19/h3-6H,2,7H2,1H3,(H,14,16,18)

InChI Key

UARLTCGLXTYSPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.640

Water Solubility, LogSw

-3.08

Polar Surface Area

63.001

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

6313-0068 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6313-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6313-0068?
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What is the minimum amount of 6313-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6313-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6313-0068
  • 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 6313-0068 available by request