D026-0052 Screening compound: 2-[(1-acetyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide

D026-0052 Screening compound: 2-[(1-acetyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
D026-0052 Screening compound: 2-[(1-acetyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D026-0052
2-[(1-acetyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide

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

D026-0052

Molecular Formula

C22H20BrN5O2S2 (C22 H20 BrN5 O2 S2)

Compound Name

2-[(1-acetyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide

IUPAC name

2-[(1-acetyl-1H-13-benzodiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-134-thiadiazin-2-yl]butanamide

SMILES

CCC(C(NC(SC1)=NN=C1c(cc1)ccc1Br)=O)Sc1nc(cccc2)c2n1C(C)=O

InChI

InChI=1S/C22H20BrN5O2S2/c1-3-19(32-22-24-16-6-4-5-7-18(16)28(22)13(2)29)20(30)25-21-27-26-17(12-31-21)14-8-10-15(23)11-9-14/h4-11,19H,3,12H2,1-2H3,(H,25,27,30)/t19-/m0/s1

InChI Key

PQWQYZWRUFZNAV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08555045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.191

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.04

Polar Surface Area

68.202

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D026-0052 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D026-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D026-0052?
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What is the minimum amount of D026-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D026-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D026-0052
  • 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 D026-0052 available by request