8008-4850 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-{4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]phenyl}-1,3-benzoxazol-5-yl)acetamide

8008-4850 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-{4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]phenyl}-1,3-benzoxazol-5-yl)acetamide
8008-4850 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-{4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]phenyl}-1,3-benzoxazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4850
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-{4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]phenyl}-1,3-benzoxazol-5-yl)acetamide

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

8008-4850

Molecular Formula

C31H21N5O5S2 (C31 H21 N5 O5 S2)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-{4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]phenyl}-1,3-benzoxazol-5-yl)acetamide

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)-N-(2-{4-[2-(13-benzoxazol-2-ylsulfanyl)acetamido]phenyl}-13-benzoxazol-5-yl)acetamide

SMILES

O=C(CSc1nc(cccc2)c2o1)Nc(cc1)ccc1-c1nc(cc(cc2)NC(CSc3nc(cccc4)c4o3)=O)c2o1

InChI

InChI=1S/C31H21N5O5S2/c37-27(16-42-30-35-21-5-1-3-7-24(21)40-30)32-19-11-9-18(10-12-19)29-34-23-15-20(13-14-26(23)39-29)33-28(38)17-43-31-36-22-6-2-4-8-25(22)41-31/h1-15H,16-17H2,(H,32,37)(H,33,38)

InChI Key

LVQRJNDBASFPMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

607.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.666

Distribution Coefficient, logD

6.666

Water Solubility, LogSw

-6.14

Polar Surface Area

96.131

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

8008-4850 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8008-4850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4850?
Check Price and Availability of 8008-4850, 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 8008-4850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4850
  • 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 8008-4850 available by request