3729-3033 Screening compound: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide

3729-3033 Screening compound: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
3729-3033 Screening compound: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-3033
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide

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

3729-3033

Molecular Formula

C26H22N2O3 (C26 H22 N2 O3)

Compound Name

N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-[5-(57-dimethyl-13-benzoxazol-2-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(Nc2c(C)ccc(-c3nc(cc(C)cc4C)c4o3)c2)=O)oc2c1cccc2

InChI

InChI=1S/C26H22N2O3/c1-14-11-16(3)23-21(12-14)28-26(31-23)18-10-9-15(2)20(13-18)27-25(29)24-17(4)19-7-5-6-8-22(19)30-24/h5-13H,1-4H3,(H,27,29)

InChI Key

GAKASEVYPRQSHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01832082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.668

Distribution Coefficient, logD

6.668

Water Solubility, LogSw

-5.85

Polar Surface Area

48.201

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 3729-3033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-3033?
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What is the minimum amount of 3729-3033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-3033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-3033
  • 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 3729-3033 available by request