7182-3763 Screening compound: 3-({5-[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-phenylpropanamide

7182-3763 Screening compound: 3-({5-[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-phenylpropanamide
7182-3763 Screening compound: 3-({5-[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7182-3763
3-({5-[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-phenylpropanamide

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

7182-3763

Molecular Formula

C20H17N5O3S3 (C20 H17 N5 O3 S3)

Compound Name

3-({5-[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-phenylpropanamide

IUPAC name

3-({5-[2-(2-oxo-23-dihydro-13-benzothiazol-3-yl)acetamido]-134-thiadiazol-2-yl}sulfanyl)-N-phenylpropanamide

SMILES

O=C(CCSc1nnc(NC(CN(c(cccc2)c2S2)C2=O)=O)s1)Nc1ccccc1

InChI

InChI=1S/C20H17N5O3S3/c26-16(21-13-6-2-1-3-7-13)10-11-29-19-24-23-18(31-19)22-17(27)12-25-14-8-4-5-9-15(14)30-20(25)28/h1-9H,10-12H2,(H,21,26)(H,22,23,27)

InChI Key

ZTELEMJXKUTKHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06615349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.07

Polar Surface Area

84.744

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 7182-3763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7182-3763?
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What is the minimum amount of 7182-3763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7182-3763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7182-3763
  • 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 7182-3763 available by request