3970-2146 Screening compound: (5Z)-5-{[5-(1H-1,3-benzodiazol-2-ylsulfanyl)furan-2-yl]methylidene}-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione

3970-2146 Screening compound: (5Z)-5-{[5-(1H-1,3-benzodiazol-2-ylsulfanyl)furan-2-yl]methylidene}-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione
3970-2146 Screening compound: (5Z)-5-{[5-(1H-1,3-benzodiazol-2-ylsulfanyl)furan-2-yl]methylidene}-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-2146
(5Z)-5-{[5-(1H-1,3-benzodiazol-2-ylsulfanyl)furan-2-yl]methylidene}-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione

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

3970-2146

Molecular Formula

C22H13BrN4O4S (C22 H13 BrN4 O4 S)

Compound Name

(5Z)-5-{[5-(1H-1,3-benzodiazol-2-ylsulfanyl)furan-2-yl]methylidene}-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-{[5-(1H-13-benzodiazol-2-ylsulfanyl)furan-2-yl]methylidene}-1-(4-bromophenyl)-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c(cc2)ccc2Br)=O)=C/c(o2)ccc2Sc2nc(cccc3)c3[nH]2)NC1=O

InChI

InChI=1S/C22H13BrN4O4S/c23-12-5-7-13(8-6-12)27-20(29)15(19(28)26-22(27)30)11-14-9-10-18(31-14)32-21-24-16-3-1-2-4-17(16)25-21/h1-11H,(H,24,25)(H,26,28,30)

InChI Key

YYGSBDZHQQJGNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02379777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.326

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.54

Polar Surface Area

79.194

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3970-2146 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3970-2146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-2146?
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What is the minimum amount of 3970-2146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-2146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-2146
  • 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 3970-2146 available by request