2036-1323 Screening compound: 3-phenyl-5-[(4-{4-[(3-phenyl-2,1-benzoxazol-5-yl)sulfanyl]phenoxy}phenyl)sulfanyl]-2,1-benzoxazole

2036-1323 Screening compound: 3-phenyl-5-[(4-{4-[(3-phenyl-2,1-benzoxazol-5-yl)sulfanyl]phenoxy}phenyl)sulfanyl]-2,1-benzoxazole
2036-1323 Screening compound: 3-phenyl-5-[(4-{4-[(3-phenyl-2,1-benzoxazol-5-yl)sulfanyl]phenoxy}phenyl)sulfanyl]-2,1-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2036-1323
3-phenyl-5-[(4-{4-[(3-phenyl-2,1-benzoxazol-5-yl)sulfanyl]phenoxy}phenyl)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

2036-1323

Molecular Formula

C38H24N2O3S2 (C38 H24 N2 O3 S2)

Compound Name

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

IUPAC name

3-phenyl-5-[(4-{4-[(3-phenyl-21-benzoxazol-5-yl)sulfanyl]phenoxy}phenyl)sulfanyl]-21-benzoxazole

SMILES

c(cc1)ccc1-c1c(cc(cc2)Sc(cc3)ccc3Oc(cc3)ccc3Sc3cc4c(-c5ccccc5)onc4cc3)c2no1

InChI

InChI=1S/C38H24N2O3S2/c1-3-7-25(8-4-1)37-33-23-31(19-21-35(33)39-42-37)44-29-15-11-27(12-16-29)41-28-13-17-30(18-14-28)45-32-20-22-36-34(24-32)38(43-40-36)26-9-5-2-6-10-26/h1-24H

InChI Key

NHYMOMCDUFDPRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

620.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

11.564

Distribution Coefficient, logD

11.564

Water Solubility, LogSw

-6.48

Polar Surface Area

49.409

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2036-1323 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2036-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2036-1323?
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What is the minimum amount of 2036-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2036-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2036-1323
  • 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 2036-1323 available by request