C370-5396 Screening compound: (6E)-2-(adamantan-1-yl)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-5396 Screening compound: (6E)-2-(adamantan-1-yl)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-5396 Screening compound: (6E)-2-(adamantan-1-yl)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-5396
(6E)-2-(adamantan-1-yl)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-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

C370-5396

Molecular Formula

C26H24N6O3S (C26 H24 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N=C(/C1=C\c2cccn2-c2cc([N+]([O-])=O)ccc2)N2N=C(C3(CC(C4)C5)CC5CC4C3)SC2=NC1=O

InChI

InChI=1S/C26H24N6O3S/c27-22-21(11-19-5-2-6-30(19)18-3-1-4-20(10-18)32(34)35)23(33)28-25-31(22)29-24(36-25)26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10-11,15-17,27H,7-9,12-14H2

InChI Key

FCESSAOOMJERIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-5.72

Polar Surface Area

90.692

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C370-5396 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C370-5396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-5396?
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What is the minimum amount of C370-5396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-5396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-5396
  • 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 C370-5396 available by request