4011-0170 Screening compound: (6Z)-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(4-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4011-0170 Screening compound: (6Z)-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(4-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4011-0170 Screening compound: (6Z)-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(4-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4011-0170
(6Z)-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(4-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]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

4011-0170

Molecular Formula

C25H20FN5OS (C25 H20 FN5 OS)

Compound Name

(6Z)-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(4-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-{[1-(4-fluorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(4-methylphenyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

Cc1cc(/C=C(/C(N2N=C(c3ccc(C)cc3)SC2=N2)=N)\C2=O)c(C)n1-c(cc1)ccc1F

InChI

InChI=1S/C25H20FN5OS/c1-14-4-6-17(7-5-14)24-29-31-22(27)21(23(32)28-25(31)33-24)13-18-12-15(2)30(16(18)3)20-10-8-19(26)9-11-20/h4-13,27H,1-3H3

InChI Key

SFNKBHCTXHTRCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02950969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-4.32

Polar Surface Area

57.412

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 4011-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4011-0170?
Check Price and Availability of 4011-0170, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4011-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4011-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4011-0170
  • 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 4011-0170 available by request