3343-0283 Screening compound: 1-(4-benzoylbenzoyl)-3-[4-(1,3-benzoxazol-2-yl)phenyl]thiourea

3343-0283 Screening compound: 1-(4-benzoylbenzoyl)-3-[4-(1,3-benzoxazol-2-yl)phenyl]thiourea
3343-0283 Screening compound: 1-(4-benzoylbenzoyl)-3-[4-(1,3-benzoxazol-2-yl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-0283
1-(4-benzoylbenzoyl)-3-[4-(1,3-benzoxazol-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

3343-0283

Molecular Formula

C28H19N3O3S (C28 H19 N3 O3 S)

Compound Name

1-(4-benzoylbenzoyl)-3-[4-(1,3-benzoxazol-2-yl)phenyl]thiourea

IUPAC name

1-(4-benzoylbenzoyl)-3-[4-(13-benzoxazol-2-yl)phenyl]thiourea

SMILES

O=C(c1ccccc1)c(cc1)ccc1C(NC(Nc(cc1)ccc1-c1nc(cccc2)c2o1)=S)=O

InChI

InChI=1S/C28H19N3O3S/c32-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(33)31-28(35)29-22-16-14-21(15-17-22)27-30-23-8-4-5-9-24(23)34-27/h1-17H,(H2,29,31,33,35)

InChI Key

JYLGWOHRAAOSLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.062

Distribution Coefficient, logD

6.061

Water Solubility, LogSw

-6.17

Polar Surface Area

63.517

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3343-0283 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3343-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-0283?
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What is the minimum amount of 3343-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-0283
  • 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 3343-0283 available by request