D344-7749 Screening compound: 3-bromo-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

D344-7749 Screening compound: 3-bromo-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
D344-7749 Screening compound: 3-bromo-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D344-7749
3-bromo-N-[2-(4-methoxyphenyl)-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

D344-7749

Molecular Formula

C21H15BrN2O3 (C21 H15 BrN2 O3)

Compound Name

3-bromo-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

IUPAC name

3-bromo-N-[2-(4-methoxyphenyl)-13-benzoxazol-5-yl]benzamide

SMILES

COc(cc1)ccc1-c1nc(cc(cc2)NC(c3cccc(Br)c3)=O)c2o1

InChI

InChI=1S/C21H15BrN2O3/c1-26-17-8-5-13(6-9-17)21-24-18-12-16(7-10-19(18)27-21)23-20(25)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,25)

InChI Key

HPFBMAQHLBJWCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00637651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.378

Distribution Coefficient, logD

5.368

Water Solubility, LogSw

-5.55

Polar Surface Area

47.684

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D344-7749 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D344-7749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D344-7749?
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What is the minimum amount of D344-7749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D344-7749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D344-7749
  • 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 D344-7749 available by request