E960-1191 Screening compound: 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

E960-1191 Screening compound: 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
E960-1191 Screening compound: 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1191
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

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

E960-1191

Molecular Formula

C22H19ClF2N4OS (C22 H19 ClF2 N4 OS)

Compound Name

5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

CCn1nc(C)c(N=C(N2Cc(cc3)ccc3F)SCc(c(F)ccc3)c3Cl)c1C2=O

InChI

InChI=1S/C22H19ClF2N4OS/c1-3-29-20-19(13(2)27-29)26-22(31-12-16-17(23)5-4-6-18(16)25)28(21(20)30)11-14-7-9-15(24)10-8-14/h4-10H,3,11-12H2,1-2H3

InChI Key

ZUYQZJXXHULDQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-4.70

Polar Surface Area

37.438

Acid Dissociation Constant (pKa)

29.70

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E960-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1191?
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What is the minimum amount of E960-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1191
  • 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 E960-1191 available by request