4126-0684 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(3,5-diethoxybenzoyl)thiourea

4126-0684 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(3,5-diethoxybenzoyl)thiourea
4126-0684 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(3,5-diethoxybenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4126-0684
1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(3,5-diethoxybenzoyl)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

4126-0684

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

1-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(3,5-diethoxybenzoyl)thiourea

IUPAC name

1-[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]-3-(35-diethoxybenzoyl)thiourea

SMILES

CCOc1cc(C(NC(Nc(cc(cc2)-c3nc(cccc4)c4o3)c2OC)=S)=O)cc(OCC)c1

InChI

InChI=1S/C26H25N3O5S/c1-4-32-18-12-17(13-19(15-18)33-5-2)24(30)29-26(35)28-21-14-16(10-11-22(21)31-3)25-27-20-8-6-7-9-23(20)34-25/h6-15H,4-5H2,1-3H3,(H2,28,29,30,35)

InChI Key

DLOYRKPGDJYOOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03926197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.011

Distribution Coefficient, logD

6.011

Water Solubility, LogSw

-5.49

Polar Surface Area

71.230

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 4126-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4126-0684?
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What is the minimum amount of 4126-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4126-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4126-0684
  • 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 4126-0684 available by request