2978-1120 Screening compound: 3,5-diethoxy-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

2978-1120 Screening compound: 3,5-diethoxy-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
2978-1120 Screening compound: 3,5-diethoxy-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2978-1120
3,5-diethoxy-N-[2-(3-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

2978-1120

Molecular Formula

C24H21FN2O4 (C24 H21 FN2 O4)

Compound Name

3,5-diethoxy-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

IUPAC name

35-diethoxy-N-[2-(3-fluorophenyl)-13-benzoxazol-5-yl]benzamide

SMILES

CCOc1cc(C(Nc(cc2)cc3c2oc(-c2cccc(F)c2)n3)=O)cc(OCC)c1

InChI

InChI=1S/C24H21FN2O4/c1-3-29-19-11-16(12-20(14-19)30-4-2)23(28)26-18-8-9-22-21(13-18)27-24(31-22)15-6-5-7-17(25)10-15/h5-14H,3-4H2,1-2H3,(H,26,28)

InChI Key

XESUZMRANRBDTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.618

Distribution Coefficient, logD

5.618

Water Solubility, LogSw

-5.43

Polar Surface Area

54.387

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2978-1120 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2978-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2978-1120?
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What is the minimum amount of 2978-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2978-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2978-1120
  • 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 2978-1120 available by request