4708-0326 Screening compound: 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

4708-0326 Screening compound: 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
4708-0326 Screening compound: 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0326
1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

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

4708-0326

Molecular Formula

C24H22ClFN4OS (C24 H22 ClFN4 OS)

Compound Name

1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

IUPAC name

1-[5-(4-chlorophenyl)thieno[23-d]pyrimidin-4-yl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

SMILES

COc(ccc(CN(CC1)CCN1c1c(c(-c(cc2)ccc2Cl)cs2)c2ncn1)c1)c1F

InChI

InChI=1S/C24H22ClFN4OS/c1-31-21-7-2-16(12-20(21)26)13-29-8-10-30(11-9-29)23-22-19(14-32-24(22)28-15-27-23)17-3-5-18(25)6-4-17/h2-7,12,14-15H,8-11,13H2,1H3

InChI Key

LJCGBOSBJNWTFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.767

Distribution Coefficient, logD

5.742

Water Solubility, LogSw

-6.14

Polar Surface Area

35.438

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4708-0326 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 4708-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0326?
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What is the minimum amount of 4708-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0326
  • 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 4708-0326 available by request