3616-2777 Screening compound: 3-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-1-(furan-2-carbonyl)thiourea

3616-2777 Screening compound: 3-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-1-(furan-2-carbonyl)thiourea
3616-2777 Screening compound: 3-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-1-(furan-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-2777
3-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-1-(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

3616-2777

Molecular Formula

C19H12BrN3O3S (C19 H12 BrN3 O3 S)

Compound Name

3-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-1-(furan-2-carbonyl)thiourea

IUPAC name

3-[2-(3-bromophenyl)-13-benzoxazol-5-yl]-1-(furan-2-carbonyl)thiourea

SMILES

O=C(c1ccco1)NC(Nc(cc1)cc2c1oc(-c1cccc(Br)c1)n2)=S

InChI

InChI=1S/C19H12BrN3O3S/c20-12-4-1-3-11(9-12)18-22-14-10-13(6-7-15(14)26-18)21-19(27)23-17(24)16-5-2-8-25-16/h1-10H,(H2,21,23,24,27)

InChI Key

NLJKOVOWXRJBRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.29

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

4.970

Distribution Coefficient, logD

4.970

Water Solubility, LogSw

-5.00

Polar Surface Area

58.628

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3616-2777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-2777?
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What is the minimum amount of 3616-2777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-2777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-2777
  • 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 3616-2777 available by request