8019-4035 Screening compound: 2-[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethoxy]-N~1~-(1,3-thiazol-2-yl)benzamide

8019-4035 Screening compound: 2-[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethoxy]-N~1~-(1,3-thiazol-2-yl)benzamide
8019-4035 Screening compound: 2-[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethoxy]-N~1~-(1,3-thiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4035
2-[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethoxy]-N~1~-(1,3-thiazol-2-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

8019-4035

Molecular Formula

C24H17N3O4S (C24 H17 N3 O4 S)

Compound Name

2-[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethoxy]-N~1~-(1,3-thiazol-2-yl)benzamide

IUPAC name

2-[({8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}carbamoyl)methoxy]-N-(13-thiazol-2-yl)benzamide

SMILES

O=C(COc(cccc1)c1C(Nc1nccs1)=O)Nc(cc1)cc2c1c(cccc1)c1o2

InChI

InChI=1S/C24H17N3O4S/c28-22(26-15-9-10-17-16-5-1-4-8-20(16)31-21(17)13-15)14-30-19-7-3-2-6-18(19)23(29)27-24-25-11-12-32-24/h1-13H,14H2,(H,26,28)(H,25,27,29)

InChI Key

KPBVEKCSGXCKQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.347

Distribution Coefficient, logD

5.174

Water Solubility, LogSw

-5.97

Polar Surface Area

72.186

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

8019-4035 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 8019-4035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4035?
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What is the minimum amount of 8019-4035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4035
  • 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 8019-4035 available by request