Y021-1102 Screening compound: 1-benzoyl-4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2,2-dimethyl-1,2-dihydroquinoline

Y021-1102 Screening compound: 1-benzoyl-4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2,2-dimethyl-1,2-dihydroquinoline
Y021-1102 Screening compound: 1-benzoyl-4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2,2-dimethyl-1,2-dihydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1102
1-benzoyl-4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2,2-dimethyl-1,2-dihydroquinoline

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

Y021-1102

Molecular Formula

C29H30FN3O (C29 H30 FN3 O)

Compound Name

1-benzoyl-4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2,2-dimethyl-1,2-dihydroquinoline

IUPAC name

1-benzoyl-4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-22-dimethyl-12-dihydroquinoline

SMILES

CC1(C)N(C(c2ccccc2)=O)c(cccc2)c2C(CN(CC2)CCN2c(cccc2)c2F)=C1

InChI

InChI=1S/C29H30FN3O/c1-29(2)20-23(21-31-16-18-32(19-17-31)27-15-9-7-13-25(27)30)24-12-6-8-14-26(24)33(29)28(34)22-10-4-3-5-11-22/h3-15,20H,16-19,21H2,1-2H3

InChI Key

DHQFOBQVMGZXMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31538228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

5.283

Water Solubility, LogSw

-5.44

Polar Surface Area

21.016

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.59

Y021-1102 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 Y021-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1102?
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What is the minimum amount of Y021-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1102
  • 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 Y021-1102 available by request