3729-1449 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-[2-(4-methylphenoxy)acetyl]thiourea

3729-1449 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-[2-(4-methylphenoxy)acetyl]thiourea
3729-1449 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-[2-(4-methylphenoxy)acetyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-1449
3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-[2-(4-methylphenoxy)acetyl]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

3729-1449

Molecular Formula

C24H21N3O4S (C24 H21 N3 O4 S)

Compound Name

3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-[2-(4-methylphenoxy)acetyl]thiourea

IUPAC name

3-[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]-1-[2-(4-methylphenoxy)acetyl]thiourea

SMILES

Cc(cc1)ccc1OCC(NC(Nc(cc(cc1)-c2nc(cccc3)c3o2)c1OC)=S)=O

InChI

InChI=1S/C24H21N3O4S/c1-15-7-10-17(11-8-15)30-14-22(28)27-24(32)26-19-13-16(9-12-20(19)29-2)23-25-18-5-3-4-6-21(18)31-23/h3-13H,14H2,1-2H3,(H2,26,27,28,32)

InChI Key

OHBHMGNIARUZOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02799645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.119

Distribution Coefficient, logD

5.119

Water Solubility, LogSw

-4.99

Polar Surface Area

64.268

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3729-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-1449?
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What is the minimum amount of 3729-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-1449
  • 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 3729-1449 available by request