E912-0201 Screening compound: 6-(5-{[3-(4-fluorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-2-thienyl)-3(2H)-pyridazinone

E912-0201 Screening compound: 6-(5-{[3-(4-fluorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-2-thienyl)-3(2H)-pyridazinone
E912-0201 Screening compound: 6-(5-{[3-(4-fluorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-2-thienyl)-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0201
6-(5-{[3-(4-fluorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-2-thienyl)-3(2H)-pyridazinone

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

E912-0201

Molecular Formula

C19H19FN4O3S2 (C19 H19 FN4 O3 S2)

Compound Name

6-(5-{[3-(4-fluorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-2-thienyl)-3(2H)-pyridazinone

IUPAC name

n/a

SMILES

O=C(C=C1)NN=C1c(s1)ccc1S(N1CN(Cc(cc2)ccc2F)CCC1)(=O)=O

InChI

InChI=1S/C19H19FN4O3S2/c20-15-4-2-14(3-5-15)12-23-10-1-11-24(13-23)29(26,27)19-9-7-17(28-19)16-6-8-18(25)22-21-16/h2-9H,1,10-13H2,(H,22,25)

InChI Key

QGKWWYHILKTKBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.31

Polar Surface Area

74.385

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E912-0201 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 E912-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0201?
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What is the minimum amount of E912-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0201
  • 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 E912-0201 available by request