4244-1154 Screening compound: 3,4,5-triethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide

4244-1154 Screening compound: 3,4,5-triethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide
4244-1154 Screening compound: 3,4,5-triethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-1154
3,4,5-triethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}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

4244-1154

Molecular Formula

C29H32N2O5 (C29 H32 N2 O5)

Compound Name

3,4,5-triethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide

IUPAC name

345-triethoxy-N-{4-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}benzamide

SMILES

CCOc1cc(C(Nc(cc2)ccc2-c2nc(cc(C(C)C)cc3)c3o2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C29H32N2O5/c1-6-33-25-16-21(17-26(34-7-2)27(25)35-8-3)28(32)30-22-12-9-19(10-13-22)29-31-23-15-20(18(4)5)11-14-24(23)36-29/h9-18H,6-8H2,1-5H3,(H,30,32)

InChI Key

DANUXWPYVYBAAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.359

Distribution Coefficient, logD

6.359

Water Solubility, LogSw

-5.53

Polar Surface Area

61.857

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

4244-1154 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4244-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-1154?
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What is the minimum amount of 4244-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-1154
  • 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 4244-1154 available by request