4059-2032 Screening compound: 1-(1-benzofuran-2-carbonyl)-3-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiourea

4059-2032 Screening compound: 1-(1-benzofuran-2-carbonyl)-3-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiourea
4059-2032 Screening compound: 1-(1-benzofuran-2-carbonyl)-3-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4059-2032
1-(1-benzofuran-2-carbonyl)-3-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]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

4059-2032

Molecular Formula

C27H23N3O3S (C27 H23 N3 O3 S)

Compound Name

1-(1-benzofuran-2-carbonyl)-3-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiourea

IUPAC name

1-(1-benzofuran-2-carbonyl)-3-[2-(4-tert-butylphenyl)-13-benzoxazol-5-yl]thiourea

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(cc(cc2)NC(NC(c3cc(cccc4)c4o3)=O)=S)c2o1

InChI

InChI=1S/C27H23N3O3S/c1-27(2,3)18-10-8-16(9-11-18)25-29-20-15-19(12-13-22(20)33-25)28-26(34)30-24(31)23-14-17-6-4-5-7-21(17)32-23/h4-15H,1-3H3,(H2,28,30,31,34)

InChI Key

XBXMALYDIJAZOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.679

Distribution Coefficient, logD

7.678

Water Solubility, LogSw

-6.42

Polar Surface Area

58.343

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

4059-2032 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4059-2032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-2032?
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What is the minimum amount of 4059-2032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-2032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-2032
  • 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 4059-2032 available by request