C356-0470 Screening compound: (6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0470 Screening compound: (6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0470 Screening compound: (6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0470
(6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-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

C356-0470

Molecular Formula

C21H21N5O4S2 (C21 H21 N5 O4 S2)

Compound Name

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

IUPAC name

(6E)-6-{[1-(2-ethoxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc(cccc1)c1-n1c(C)c(/C=C(\C(N(C(S2)=N3)N=C2S(C)(=O)=O)=N)/C3=O)cc1C

InChI

InChI=1S/C21H21N5O4S2/c1-5-30-17-9-7-6-8-16(17)25-12(2)10-14(13(25)3)11-15-18(22)26-20(23-19(15)27)31-21(24-26)32(4,28)29/h6-11,22H,5H2,1-4H3

InChI Key

NMIKOIMNIZPOCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

1.774

Water Solubility, LogSw

-2.78

Polar Surface Area

94.125

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C356-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0470?
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What is the minimum amount of C356-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0470
  • 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 C356-0470 available by request