3616-1644 Screening compound: 1-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-carbonyl)thiourea

3616-1644 Screening compound: 1-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-carbonyl)thiourea
3616-1644 Screening compound: 1-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1644
1-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-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

3616-1644

Molecular Formula

C21H17N3O3S (C21 H17 N3 O3 S)

Compound Name

1-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-carbonyl)thiourea

IUPAC name

1-[3-(57-dimethyl-13-benzoxazol-2-yl)phenyl]-3-(furan-2-carbonyl)thiourea

SMILES

Cc(cc1C)cc2c1oc(-c1cccc(NC(NC(c3ccco3)=O)=S)c1)n2

InChI

InChI=1S/C21H17N3O3S/c1-12-9-13(2)18-16(10-12)23-20(27-18)14-5-3-6-15(11-14)22-21(28)24-19(25)17-7-4-8-26-17/h3-11H,1-2H3,(H2,22,24,25,28)

InChI Key

ZGCILWPDOZZFAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

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

5.142

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-5.02

Polar Surface Area

58.861

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 3616-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1644?
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What is the minimum amount of 3616-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1644
  • 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 3616-1644 available by request