3820-6891 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(thiophene-2-carbonyl)thiourea

3820-6891 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(thiophene-2-carbonyl)thiourea
3820-6891 Screening compound: 1-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(thiophene-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-6891
1-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(thiophene-2-carbonyl)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

3820-6891

Molecular Formula

C20H15N3O2S2 (C20 H15 N3 O2 S2)

Compound Name

1-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(thiophene-2-carbonyl)thiourea

IUPAC name

1-[5-(13-benzoxazol-2-yl)-2-methylphenyl]-3-(thiophene-2-carbonyl)thiourea

SMILES

Cc(ccc(-c1nc(cccc2)c2o1)c1)c1NC(NC(c1cccs1)=O)=S

InChI

InChI=1S/C20H15N3O2S2/c1-12-8-9-13(19-21-14-5-2-3-6-16(14)25-19)11-15(12)22-20(26)23-18(24)17-7-4-10-27-17/h2-11H,1H3,(H2,22,23,24,26)

InChI Key

DDLRNGPHWKYLDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02637278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-4.88

Polar Surface Area

50.371

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3820-6891 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3820-6891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-6891?
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What is the minimum amount of 3820-6891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-6891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-6891
  • 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 3820-6891 available by request