6731-1419 Screening compound: 3-(2,4-dimethylbenzoyl)-1-(3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

6731-1419 Screening compound: 3-(2,4-dimethylbenzoyl)-1-(3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea
6731-1419 Screening compound: 3-(2,4-dimethylbenzoyl)-1-(3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6731-1419
3-(2,4-dimethylbenzoyl)-1-(3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

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

6731-1419

Molecular Formula

C22H18N4O2S (C22 H18 N4 O2 S)

Compound Name

3-(2,4-dimethylbenzoyl)-1-(3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

IUPAC name

3-(24-dimethylbenzoyl)-1-(3-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)thiourea

SMILES

Cc(cc1)cc(C)c1C(NC(Nc1cc(-c2nc(nccc3)c3o2)ccc1)=S)=O

InChI

InChI=1S/C22H18N4O2S/c1-13-8-9-17(14(2)11-13)20(27)26-22(29)24-16-6-3-5-15(12-16)21-25-19-18(28-21)7-4-10-23-19/h3-12H,1-2H3,(H2,24,26,27,29)

InChI Key

SIXASWCFTXSFOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03849240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.056

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-4.57

Polar Surface Area

60.424

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 6731-1419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6731-1419?
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What is the minimum amount of 6731-1419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6731-1419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6731-1419
  • 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 6731-1419 available by request