C355-1078 Screening compound: (6Z)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-1078 Screening compound: (6Z)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-1078 Screening compound: (6Z)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1078
(6Z)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-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

C355-1078

Molecular Formula

C24H27N5O4S2 (C24 H27 N5 O4 S2)

Compound Name

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

IUPAC name

(6Z)-6-{[1-(2-ethoxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCOc(cccc1)c1-n1c(C)c(/C=C(/C(N(C(S(CC(C)C)(=O)=O)=NS2)C2=N2)=N)\C2=O)cc1C

InChI

InChI=1S/C24H27N5O4S2/c1-6-33-20-10-8-7-9-19(20)28-15(4)11-17(16(28)5)12-18-21(25)29-23(26-22(18)30)34-27-24(29)35(31,32)13-14(2)3/h7-12,14,25H,6,13H2,1-5H3

InChI Key

BLNTVNXZRAEPLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.166

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.59

Polar Surface Area

89.881

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C355-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1078?
Check Price and Availability of C355-1078, 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 C355-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1078
  • 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 C355-1078 available by request