4011-0063 Screening compound: (6Z)-2-cyclohexyl-6-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4011-0063 Screening compound: (6Z)-2-cyclohexyl-6-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4011-0063 Screening compound: (6Z)-2-cyclohexyl-6-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4011-0063
(6Z)-2-cyclohexyl-6-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-imino-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

4011-0063

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

(6Z)-2-cyclohexyl-6-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-2-cyclohexyl-6-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc(cc(/C=C(/C(N1N=C(C2CCCCC2)SC1=N1)=N)\C1=O)cc1)c1O

InChI

InChI=1S/C20H22N4O3S/c1-2-27-16-11-12(8-9-15(16)25)10-14-17(21)24-20(22-18(14)26)28-19(23-24)13-6-4-3-5-7-13/h8-11,13,21,25H,2-7H2,1H3

InChI Key

XLNBBNFEDUQVQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08049341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

1.693

Water Solubility, LogSw

-3.46

Polar Surface Area

78.698

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4011-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4011-0063?
Check Price and Availability of 4011-0063, 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 4011-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4011-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4011-0063
  • 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 4011-0063 available by request