C370-4166 Screening compound: (6E)-6-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-4166 Screening compound: (6E)-6-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-4166 Screening compound: (6E)-6-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-4166
(6E)-6-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(2-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

C370-4166

Molecular Formula

C23H16ClN5OS (C23 H16 ClN5 OS)

Compound Name

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

IUPAC name

(6E)-6-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(2-methylphenyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

Cc(cccc1)c1C(SC1=NC(/C2=C/c3cccn3-c(cc3)ccc3Cl)=O)=NN1C2=N

InChI

InChI=1S/C23H16ClN5OS/c1-14-5-2-3-7-18(14)22-27-29-20(25)19(21(30)26-23(29)31-22)13-17-6-4-12-28(17)16-10-8-15(24)9-11-16/h2-13,25H,1H3

InChI Key

NKDHHWHKXMQZPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.93

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

4.738

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.95

Polar Surface Area

57.277

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C370-4166 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-4166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-4166?
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What is the minimum amount of C370-4166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-4166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-4166
  • 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 C370-4166 available by request