4788-1748 Screening compound: N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-chloro-1-benzothiophene-2-carboxamide

4788-1748 Screening compound: N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-chloro-1-benzothiophene-2-carboxamide
4788-1748 Screening compound: N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-chloro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4788-1748
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-chloro-1-benzothiophene-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

4788-1748

Molecular Formula

C22H13ClN2O3S (C22 H13 ClN2 O3 S)

Compound Name

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-chloro-1-benzothiophene-2-carboxamide

IUPAC name

N-[4-(13-benzoxazol-2-yl)-3-hydroxyphenyl]-3-chloro-1-benzothiophene-2-carboxamide

SMILES

Oc(cc(cc1)NC(c(sc2c3cccc2)c3Cl)=O)c1-c1nc(cccc2)c2o1

InChI

InChI=1S/C22H13ClN2O3S/c23-19-14-5-1-4-8-18(14)29-20(19)21(27)24-12-9-10-13(16(26)11-12)22-25-15-6-2-3-7-17(15)28-22/h1-11,26H,(H,24,27)

InChI Key

FQFDQIILKSSWOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02914449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.239

Distribution Coefficient, logD

6.232

Water Solubility, LogSw

-5.88

Polar Surface Area

57.435

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4788-1748 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4788-1748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4788-1748?
Check Price and Availability of 4788-1748, 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 4788-1748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4788-1748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4788-1748
  • 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 4788-1748 available by request