3886-0852 Screening compound: 4-({4-methoxy-6-[4-(phenylcarbamoyl)phenoxy]-1,3,5-triazin-2-yl}oxy)-N-phenylbenzamide

3886-0852 Screening compound: 4-({4-methoxy-6-[4-(phenylcarbamoyl)phenoxy]-1,3,5-triazin-2-yl}oxy)-N-phenylbenzamide
3886-0852 Screening compound: 4-({4-methoxy-6-[4-(phenylcarbamoyl)phenoxy]-1,3,5-triazin-2-yl}oxy)-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-0852
4-({4-methoxy-6-[4-(phenylcarbamoyl)phenoxy]-1,3,5-triazin-2-yl}oxy)-N-phenylbenzamide

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

3886-0852

Molecular Formula

C30H23N5O5 (C30 H23 N5 O5)

Compound Name

4-({4-methoxy-6-[4-(phenylcarbamoyl)phenoxy]-1,3,5-triazin-2-yl}oxy)-N-phenylbenzamide

IUPAC name

4-({4-methoxy-6-[4-(phenylcarbamoyl)phenoxy]-135-triazin-2-yl}oxy)-N-phenylbenzamide

SMILES

COc1nc(Oc(cc2)ccc2C(Nc2ccccc2)=O)nc(Oc(cc2)ccc2C(Nc2ccccc2)=O)n1

InChI

InChI=1S/C30H23N5O5/c1-38-28-33-29(39-24-16-12-20(13-17-24)26(36)31-22-8-4-2-5-9-22)35-30(34-28)40-25-18-14-21(15-19-25)27(37)32-23-10-6-3-7-11-23/h2-19H,1H3,(H,31,36)(H,32,37)

InChI Key

MMKMZUWDLUDWHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00558598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.650

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-5.64

Polar Surface Area

96.729

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

3886-0852 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3886-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-0852?
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What is the minimum amount of 3886-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-0852
  • 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 3886-0852 available by request