K221-2954 Screening compound: 3-{5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

K221-2954 Screening compound: 3-{5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
K221-2954 Screening compound: 3-{5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-2954
3-{5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

K221-2954

Molecular Formula

C23H25FN4O3 (C23 H25 FN4 O3)

Compound Name

3-{5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentyl}-1234-tetrahydroquinazoline-24-dione

SMILES

O=C(CCCCN(C(c(cccc1)c1N1)=O)C1=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C23H25FN4O3/c24-17-8-10-18(11-9-17)26-13-15-27(16-14-26)21(29)7-3-4-12-28-22(30)19-5-1-2-6-20(19)25-23(28)31/h1-2,5-6,8-11H,3-4,7,12-16H2,(H,25,31)

InChI Key

IVTPEMUYVXWVPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.56

Polar Surface Area

60.111

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

K221-2954 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K221-2954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-2954?
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What is the minimum amount of K221-2954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-2954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-2954
  • 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 K221-2954 available by request