4269-2922 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-{[1,1'-biphenyl]-4-carbonyl}thiourea

4269-2922 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-{[1,1'-biphenyl]-4-carbonyl}thiourea
4269-2922 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-{[1,1'-biphenyl]-4-carbonyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4269-2922
3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-{[1,1'-biphenyl]-4-carbonyl}thiourea

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

4269-2922

Molecular Formula

C28H21N3O3S (C28 H21 N3 O3 S)

Compound Name

3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-{[1,1'-biphenyl]-4-carbonyl}thiourea

IUPAC name

3-[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]-1-{[11'-biphenyl]-4-carbonyl}thiourea

SMILES

COc(ccc(-c1nc(cccc2)c2o1)c1)c1NC(NC(c(cc1)ccc1-c1ccccc1)=O)=S

InChI

InChI=1S/C28H21N3O3S/c1-33-24-16-15-21(27-29-22-9-5-6-10-25(22)34-27)17-23(24)30-28(35)31-26(32)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-17H,1H3,(H2,30,31,32,35)

InChI Key

DWWUZKDRELVQBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03549195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.701

Distribution Coefficient, logD

6.701

Water Solubility, LogSw

-5.86

Polar Surface Area

56.711

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

4269-2922 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4269-2922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4269-2922?
Check Price and Availability of 4269-2922, 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 4269-2922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4269-2922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4269-2922
  • 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 4269-2922 available by request