7255-3829 Screening compound: N-tert-butyl-2-({5-[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide

7255-3829 Screening compound: N-tert-butyl-2-({5-[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
7255-3829 Screening compound: N-tert-butyl-2-({5-[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7255-3829
N-tert-butyl-2-({5-[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)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

7255-3829

Molecular Formula

C17H19N5O4S2 (C17 H19 N5 O4 S2)

Compound Name

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

IUPAC name

N-tert-butyl-2-({5-[2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamido]-134-thiadiazol-2-yl}sulfanyl)acetamide

SMILES

CC(C)(C)NC(CSc1nnc(NC(CN(c(cccc2)c2O2)C2=O)=O)s1)=O

InChI

InChI=1S/C17H19N5O4S2/c1-17(2,3)19-13(24)9-27-15-21-20-14(28-15)18-12(23)8-22-10-6-4-5-7-11(10)26-16(22)25/h4-7H,8-9H2,1-3H3,(H,19,24)(H,18,20,23)

InChI Key

WMJHZPKVPBXTBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05999010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.782

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-3.32

Polar Surface Area

92.418

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

7255-3829 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7255-3829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7255-3829?
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What is the minimum amount of 7255-3829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7255-3829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7255-3829
  • 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 7255-3829 available by request