3616-1928 Screening compound: 1-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(furan-2-carbonyl)thiourea

3616-1928 Screening compound: 1-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(furan-2-carbonyl)thiourea
3616-1928 Screening compound: 1-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(furan-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1928
1-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(furan-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

3616-1928

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

1-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(furan-2-carbonyl)thiourea

IUPAC name

1-[5-(56-dimethyl-13-benzoxazol-2-yl)-2-methylphenyl]-3-(furan-2-carbonyl)thiourea

SMILES

Cc(ccc(-c1nc(cc(C)c(C)c2)c2o1)c1)c1NC(NC(c1ccco1)=O)=S

InChI

InChI=1S/C22H19N3O3S/c1-12-6-7-15(21-23-17-9-13(2)14(3)10-19(17)28-21)11-16(12)24-22(29)25-20(26)18-5-4-8-27-18/h4-11H,1-3H3,(H2,24,25,26,29)

InChI Key

GTBQONMRLJXKQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02188284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.236

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.05

Polar Surface Area

57.931

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3616-1928 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 3616-1928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1928?
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What is the minimum amount of 3616-1928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1928
  • 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 3616-1928 available by request