7489-2062 Screening compound: N-(4-methoxyphenyl)-2-({5-[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide

7489-2062 Screening compound: N-(4-methoxyphenyl)-2-({5-[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
7489-2062 Screening compound: N-(4-methoxyphenyl)-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 7489-2062
N-(4-methoxyphenyl)-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

7489-2062

Molecular Formula

C20H17N5O5S2 (C20 H17 N5 O5 S2)

Compound Name

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

SMILES

COc(cc1)ccc1NC(CSc1nnc(NC(CN(c(cccc2)c2O2)C2=O)=O)s1)=O

InChI

InChI=1S/C20H17N5O5S2/c1-29-13-8-6-12(7-9-13)21-17(27)11-31-19-24-23-18(32-19)22-16(26)10-25-14-4-2-3-5-15(14)30-20(25)28/h2-9H,10-11H2,1H3,(H,21,27)(H,22,23,26)

InChI Key

ZCIBAHDUIOIPGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06625712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.93

Polar Surface Area

99.544

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

7489-2062 in Drug Discovery

Included in Screening Libraries

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 7489-2062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7489-2062?
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What is the minimum amount of 7489-2062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7489-2062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7489-2062
  • 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 7489-2062 available by request