3729-1629 Screening compound: N-(4-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-3-propoxybenzamide

3729-1629 Screening compound: N-(4-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-3-propoxybenzamide
3729-1629 Screening compound: N-(4-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-1629
N-(4-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-3-propoxybenzamide

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

3729-1629

Molecular Formula

C30H25N3O4 (C30 H25 N3 O4)

Compound Name

N-(4-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-3-propoxybenzamide

IUPAC name

N-(4-{[4-(13-benzoxazol-2-yl)phenyl]carbamoyl}phenyl)-3-propoxybenzamide

SMILES

CCCOc1cccc(C(Nc(cc2)ccc2C(Nc(cc2)ccc2-c2nc(cccc3)c3o2)=O)=O)c1

InChI

InChI=1S/C30H25N3O4/c1-2-18-36-25-7-5-6-22(19-25)29(35)32-23-14-10-20(11-15-23)28(34)31-24-16-12-21(13-17-24)30-33-26-8-3-4-9-27(26)37-30/h3-17,19H,2,18H2,1H3,(H,31,34)(H,32,35)

InChI Key

WWLNADNJYNFQQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.432

Distribution Coefficient, logD

6.430

Water Solubility, LogSw

-5.70

Polar Surface Area

70.649

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3729-1629 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 3729-1629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-1629?
Check Price and Availability of 3729-1629, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3729-1629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-1629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-1629
  • 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 3729-1629 available by request