3093-0028 Screening compound: 4,6-di-tert-butyl-2-(5-chloro-2-hydroxyphenyl)-1,3-benzoxazol-7-ol

3093-0028 Screening compound: 4,6-di-tert-butyl-2-(5-chloro-2-hydroxyphenyl)-1,3-benzoxazol-7-ol
3093-0028 Screening compound: 4,6-di-tert-butyl-2-(5-chloro-2-hydroxyphenyl)-1,3-benzoxazol-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3093-0028
4,6-di-tert-butyl-2-(5-chloro-2-hydroxyphenyl)-1,3-benzoxazol-7-ol

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

3093-0028

Molecular Formula

C21H24ClNO3 (C21 H24 ClNO3)

Compound Name

4,6-di-tert-butyl-2-(5-chloro-2-hydroxyphenyl)-1,3-benzoxazol-7-ol

IUPAC name

46-di-tert-butyl-2-(5-chloro-2-hydroxyphenyl)-13-benzoxazol-7-ol

SMILES

CC(C)(C)c(c1c2oc(-c(cc(cc3)Cl)c3O)n1)cc(C(C)(C)C)c2O

InChI

InChI=1S/C21H24ClNO3/c1-20(2,3)13-10-14(21(4,5)6)17(25)18-16(13)23-19(26-18)12-9-11(22)7-8-15(12)24/h7-10,24-25H,1-6H3

InChI Key

MYCUDPHEBOAOTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.897

Distribution Coefficient, logD

6.848

Water Solubility, LogSw

-6.27

Polar Surface Area

50.079

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3093-0028 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3093-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3093-0028?
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What is the minimum amount of 3093-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3093-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3093-0028
  • 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 3093-0028 available by request