D086-0234 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-bromophenyl)-2,3-dihydro-1H-pyrrol-3-one

D086-0234 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-bromophenyl)-2,3-dihydro-1H-pyrrol-3-one
D086-0234 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-bromophenyl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0234
5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-bromophenyl)-2,3-dihydro-1H-pyrrol-3-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

D086-0234

Molecular Formula

C17H12BrN3OS (C17 H12 BrN3 OS)

Compound Name

5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-bromophenyl)-2,3-dihydro-1H-pyrrol-3-one

IUPAC name

5-amino-4-(13-benzothiazol-2-yl)-1-(3-bromophenyl)-23-dihydro-1H-pyrrol-3-one

SMILES

NC(N(CC1=O)c2cccc(Br)c2)=C1c1nc(cccc2)c2s1

InChI

InChI=1S/C17H12BrN3OS/c18-10-4-3-5-11(8-10)21-9-13(22)15(16(21)19)17-20-12-6-1-2-7-14(12)23-17/h1-8H,9,19H2

InChI Key

YJIULOSBUQWWEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.089

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.53

Polar Surface Area

46.420

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D086-0234 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D086-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0234?
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What is the minimum amount of D086-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0234
  • 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 D086-0234 available by request