3820-6695 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-fluorobenzoyl)thiourea

3820-6695 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-fluorobenzoyl)thiourea
3820-6695 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-fluorobenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-6695
1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-fluorobenzoyl)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

3820-6695

Molecular Formula

C21H14FN3O2S (C21 H14 FN3 O2 S)

Compound Name

1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-fluorobenzoyl)thiourea

IUPAC name

1-[4-(13-benzoxazol-2-yl)phenyl]-3-(3-fluorobenzoyl)thiourea

SMILES

O=C(c1cc(F)ccc1)NC(Nc(cc1)ccc1-c1nc(cccc2)c2o1)=S

InChI

InChI=1S/C21H14FN3O2S/c22-15-5-3-4-14(12-15)19(26)25-21(28)23-16-10-8-13(9-11-16)20-24-17-6-1-2-7-18(17)27-20/h1-12H,(H2,23,25,26,28)

InChI Key

MFRXJEBRRSEDDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

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

5.066

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-5.12

Polar Surface Area

50.050

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3820-6695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-6695?
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What is the minimum amount of 3820-6695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-6695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-6695
  • 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 3820-6695 available by request