D086-0235 Screening compound: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzamide

D086-0235 Screening compound: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzamide
D086-0235 Screening compound: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0235
4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzamide

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

D086-0235

Molecular Formula

C18H14N4O2S (C18 H14 N4 O2 S)

Compound Name

4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzamide

IUPAC name

4-[5-amino-4-(13-benzothiazol-2-yl)-3-oxo-23-dihydro-1H-pyrrol-1-yl]benzamide

SMILES

NC(c(cc1)ccc1N(CC1=O)C(N)=C1c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C18H14N4O2S/c19-16-15(18-21-12-3-1-2-4-14(12)25-18)13(23)9-22(16)11-7-5-10(6-8-11)17(20)24/h1-8H,9,19H2,(H2,20,24)

InChI Key

GMNUWQBFYIKJKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03486006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.967

Distribution Coefficient, logD

1.967

Water Solubility, LogSw

-2.60

Polar Surface Area

80.479

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with D086-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0235?
Check Price and Availability of D086-0235, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D086-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0235
  • 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 D086-0235 available by request