1889-0660 Screening compound: 4-(1,1,3,3-tetramethylbutyl)phenyl (E)-3-(4-chlorophenyl)-2-propenoate

1889-0660 Screening compound: 4-(1,1,3,3-tetramethylbutyl)phenyl (E)-3-(4-chlorophenyl)-2-propenoate
1889-0660 Screening compound: 4-(1,1,3,3-tetramethylbutyl)phenyl (E)-3-(4-chlorophenyl)-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-0660
4-(1,1,3,3-tetramethylbutyl)phenyl (E)-3-(4-chlorophenyl)-2-propenoate

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

1889-0660

Molecular Formula

C23H27ClO2 (C23 H27 ClO2)

Compound Name

4-(1,1,3,3-tetramethylbutyl)phenyl (E)-3-(4-chlorophenyl)-2-propenoate

IUPAC name

4-(244-trimethylpentan-2-yl)phenyl (2E)-3-(4-chlorophenyl)prop-2-enoate

SMILES

CC(C)(C)CC(C)(C)c(cc1)ccc1OC(/C=C/c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H27ClO2/c1-22(2,3)16-23(4,5)18-9-13-20(14-10-18)26-21(25)15-8-17-6-11-19(24)12-7-17/h6-15H,16H2,1-5H3

InChI Key

VZBQAVHBSQMXHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00791392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.631

Distribution Coefficient, logD

7.631

Water Solubility, LogSw

-6.57

Polar Surface Area

20.021

Acid Dissociation Constant (pKa)

30.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

1889-0660 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1889-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-0660?
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What is the minimum amount of 1889-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-0660
  • 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 1889-0660 available by request