C351-0001 Screening compound: 2-[1-(2,5-dimethylbenzyl)-1H-pyrrol-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole

C351-0001 Screening compound: 2-[1-(2,5-dimethylbenzyl)-1H-pyrrol-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
C351-0001 Screening compound: 2-[1-(2,5-dimethylbenzyl)-1H-pyrrol-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C351-0001
2-[1-(2,5-dimethylbenzyl)-1H-pyrrol-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole

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

C351-0001

Molecular Formula

C18H22N2O (C18 H22 N2 O)

Compound Name

2-[1-(2,5-dimethylbenzyl)-1H-pyrrol-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole

IUPAC name

2-{1-[(25-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-44-dimethyl-45-dihydro-13-oxazole

SMILES

CC1(C)N=C(c2cccn2Cc2c(C)ccc(C)c2)OC1

InChI

InChI=1S/C18H22N2O/c1-13-7-8-14(2)15(10-13)11-20-9-5-6-16(20)17-19-18(3,4)12-21-17/h5-10H,11-12H2,1-4H3

InChI Key

HDGGJJFQXPHYLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.477

Distribution Coefficient, logD

4.477

Water Solubility, LogSw

-4.33

Polar Surface Area

19.704

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

C351-0001 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C351-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0001?
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What is the minimum amount of C351-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0001
  • 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 C351-0001 available by request