7255-3830 Screening compound: N-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

7255-3830 Screening compound: N-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
7255-3830 Screening compound: N-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7255-3830
N-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-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

7255-3830

Molecular Formula

C17H17N5O5S2 (C17 H17 N5 O5 S2)

Compound Name

N-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-134-thiadiazol-2-yl)-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)Nc1nnc(SCC(N2CCOCC2)=O)s1

InChI

InChI=1S/C17H17N5O5S2/c23-13(9-22-11-3-1-2-4-12(11)27-17(22)25)18-15-19-20-16(29-15)28-10-14(24)21-5-7-26-8-6-21/h1-4H,5-10H2,(H,18,19,23)

InChI Key

JLCYLTUFFJRYCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06758712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.476

Distribution Coefficient, logD

1.474

Water Solubility, LogSw

-2.31

Polar Surface Area

93.152

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

7255-3830 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 7255-3830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7255-3830?
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What is the minimum amount of 7255-3830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7255-3830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7255-3830
  • 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 7255-3830 available by request