3093-0013 Screening compound: 5,7-di-tert-butyl-2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazole

3093-0013 Screening compound: 5,7-di-tert-butyl-2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazole
3093-0013 Screening compound: 5,7-di-tert-butyl-2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3093-0013
5,7-di-tert-butyl-2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-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

3093-0013

Molecular Formula

C23H31NO3 (C23 H31 NO3)

Compound Name

5,7-di-tert-butyl-2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazole

IUPAC name

57-di-tert-butyl-2-(23-dimethoxyphenyl)-23-dihydro-13-benzoxazole

SMILES

CC(C)(C)c1cc(C(C)(C)C)c2OC(c(cccc3OC)c3OC)Nc2c1

InChI

InChI=1S/C23H31NO3/c1-22(2,3)14-12-16(23(4,5)6)20-17(13-14)24-21(27-20)15-10-9-11-18(25-7)19(15)26-8/h9-13,21,24H,1-8H3/t21-/m0/s1

InChI Key

KCPPVHUGZDWFDP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02042964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.524

Distribution Coefficient, logD

6.524

Water Solubility, LogSw

-5.94

Polar Surface Area

35.435

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

3093-0013 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3093-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3093-0013?
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What is the minimum amount of 3093-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3093-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3093-0013
  • 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 3093-0013 available by request