C925-0439 Screening compound: 4-chloro-2-[6-(4-methoxyphenyl)-2-(thiophen-3-yl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol

C925-0439 Screening compound: 4-chloro-2-[6-(4-methoxyphenyl)-2-(thiophen-3-yl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol
C925-0439 Screening compound: 4-chloro-2-[6-(4-methoxyphenyl)-2-(thiophen-3-yl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound C925-0439
4-chloro-2-[6-(4-methoxyphenyl)-2-(thiophen-3-yl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol

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

C925-0439

Molecular Formula

C21H19ClN2O2S (C21 H19 ClN2 O2 S)

Compound Name

4-chloro-2-[6-(4-methoxyphenyl)-2-(thiophen-3-yl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol

IUPAC name

4-chloro-2-[6-(4-methoxyphenyl)-2-(thiophen-3-yl)-2345-tetrahydropyrimidin-4-yl]phenol

SMILES

COc(cc1)ccc1C(C1)=NC(c2cscc2)NC1c(cc(cc1)Cl)c1O

InChI

InChI=1S/C21H19ClN2O2S/c1-26-16-5-2-13(3-6-16)18-11-19(17-10-15(22)4-7-20(17)25)24-21(23-18)14-8-9-27-12-14/h2-10,12,19,21,24-25H,11H2,1H3

InChI Key

KFZQLGRTBCKKQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.210

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-5.59

Polar Surface Area

45.724

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.00

C925-0439 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C925-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C925-0439?
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What is the minimum amount of C925-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C925-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C925-0439
  • 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 C925-0439 available by request