G645-0498 Screening compound: 4-bromo-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzamide

G645-0498 Screening compound: 4-bromo-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzamide
G645-0498 Screening compound: 4-bromo-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0498
4-bromo-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-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

G645-0498

Molecular Formula

C17H13BrN2O2S (C17 H13 BrN2 O2 S)

Compound Name

4-bromo-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzamide

IUPAC name

4-bromo-N-[2-oxo-3-(prop-2-en-1-yl)-23-dihydro-13-benzothiazol-6-yl]benzamide

SMILES

C=CCN(c(ccc(NC(c(cc1)ccc1Br)=O)c1)c1S1)C1=O

InChI

InChI=1S/C17H13BrN2O2S/c1-2-9-20-14-8-7-13(10-15(14)23-17(20)22)19-16(21)11-3-5-12(18)6-4-11/h2-8,10H,1,9H2,(H,19,21)

InChI Key

ZZJRRPVORUVHMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.70

Polar Surface Area

39.152

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

G645-0498 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G645-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0498?
Check Price and Availability of G645-0498, 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 G645-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0498
  • 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 G645-0498 available by request