4982-0433 Screening compound: 3-(3,4-dimethoxyphenyl)-5-{[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole

4982-0433 Screening compound: 3-(3,4-dimethoxyphenyl)-5-{[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole
4982-0433 Screening compound: 3-(3,4-dimethoxyphenyl)-5-{[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4982-0433
3-(3,4-dimethoxyphenyl)-5-{[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole

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

4982-0433

Molecular Formula

C30H24N2O6S (C30 H24 N2 O6 S)

Compound Name

3-(3,4-dimethoxyphenyl)-5-{[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole

IUPAC name

3-(34-dimethoxyphenyl)-5-{[3-(34-dimethoxyphenyl)-21-benzoxazol-5-yl]sulfanyl}-21-benzoxazole

SMILES

COc(ccc(-c1c(cc(cc2)Sc3cc4c(-c(cc5)cc(OC)c5OC)onc4cc3)c2no1)c1)c1OC

InChI

InChI=1S/C30H24N2O6S/c1-33-25-11-5-17(13-27(25)35-3)29-21-15-19(7-9-23(21)31-37-29)39-20-8-10-24-22(16-20)30(38-32-24)18-6-12-26(34-2)28(14-18)36-4/h5-16H,1-4H3

InChI Key

XUAXVYGQEDZISR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.831

Distribution Coefficient, logD

6.831

Water Solubility, LogSw

-6.09

Polar Surface Area

73.455

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4982-0433 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4982-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4982-0433?
Check Price and Availability of 4982-0433, 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 4982-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4982-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4982-0433
  • 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 4982-0433 available by request