4718-0030 Screening compound: 1-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-(thiophene-2-carbonyl)thiourea

4718-0030 Screening compound: 1-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-(thiophene-2-carbonyl)thiourea
4718-0030 Screening compound: 1-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-(thiophene-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4718-0030
1-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-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

4718-0030

Molecular Formula

C19H13N3O2S3 (C19 H13 N3 O2 S3)

Compound Name

1-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-(thiophene-2-carbonyl)thiourea

IUPAC name

1-[3-(13-benzothiazol-2-yl)-4-hydroxyphenyl]-3-(thiophene-2-carbonyl)thiourea

SMILES

Oc(ccc(NC(NC(c1cccs1)=O)=S)c1)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C19H13N3O2S3/c23-14-8-7-11(20-19(25)22-17(24)16-6-3-9-26-16)10-12(14)18-21-13-4-1-2-5-15(13)27-18/h1-10,23H,(H2,20,22,24,25)

InChI Key

LUYCOCIKJHVGMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02799500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.776

Distribution Coefficient, logD

5.776

Water Solubility, LogSw

-5.59

Polar Surface Area

60.255

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4718-0030 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4718-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4718-0030?
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What is the minimum amount of 4718-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4718-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4718-0030
  • 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 4718-0030 available by request