7840-3059 Screening compound: N-{4-chloro-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-ethylbenzamide

7840-3059 Screening compound: N-{4-chloro-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-ethylbenzamide
7840-3059 Screening compound: N-{4-chloro-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3059
N-{4-chloro-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-ethylbenzamide

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

7840-3059

Molecular Formula

C25H23ClN2O2 (C25 H23 ClN2 O2)

Compound Name

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

IUPAC name

N-{4-chloro-3-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}-4-ethylbenzamide

SMILES

CCc(cc1)ccc1C(Nc(cc1)cc(-c2nc(cc(C(C)C)cc3)c3o2)c1Cl)=O

InChI

InChI=1S/C25H23ClN2O2/c1-4-16-5-7-17(8-6-16)24(29)27-19-10-11-21(26)20(14-19)25-28-22-13-18(15(2)3)9-12-23(22)30-25/h5-15H,4H2,1-3H3,(H,27,29)

InChI Key

LBNLEKXNINTXID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.279

Distribution Coefficient, logD

7.277

Water Solubility, LogSw

-6.44

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7840-3059 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7840-3059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3059?
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What is the minimum amount of 7840-3059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3059
  • 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 7840-3059 available by request