0780-1002 Screening compound: 2,4-dichloro-N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

0780-1002 Screening compound: 2,4-dichloro-N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
0780-1002 Screening compound: 2,4-dichloro-N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0780-1002
2,4-dichloro-N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

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

0780-1002

Molecular Formula

C20H10Cl3FN2O2 (C20 H10 Cl3 FN2 O2)

Compound Name

2,4-dichloro-N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

IUPAC name

24-dichloro-N-[2-(2-chloro-4-fluorophenyl)-13-benzoxazol-5-yl]benzamide

SMILES

O=C(c(ccc(Cl)c1)c1Cl)Nc(cc1)cc2c1oc(-c(ccc(F)c1)c1Cl)n2

InChI

InChI=1S/C20H10Cl3FN2O2/c21-10-1-4-13(15(22)7-10)19(27)25-12-3-6-18-17(9-12)26-20(28-18)14-5-2-11(24)8-16(14)23/h1-9H,(H,25,27)

InChI Key

ALCTYGHEUHXSDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.340

Distribution Coefficient, logD

6.257

Water Solubility, LogSw

-6.45

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0780-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0780-1002?
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What is the minimum amount of 0780-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0780-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0780-1002
  • 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 0780-1002 available by request