G637-0015 Screening compound: 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

G637-0015 Screening compound: 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
G637-0015 Screening compound: 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G637-0015
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

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

G637-0015

Molecular Formula

C16H11ClF3N3O4S (C16 H11 ClF3 N3 O4 S)

Compound Name

3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

IUPAC name

3-(213-benzoxadiazole-4-sulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

SMILES

O=C(CCS(c1cccc2nonc12)(=O)=O)Nc(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C16H11ClF3N3O4S/c17-11-5-4-9(8-10(11)16(18,19)20)21-14(24)6-7-28(25,26)13-3-1-2-12-15(13)23-27-22-12/h1-5,8H,6-7H2,(H,21,24)

InChI Key

XRRRFNLBQAKATA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-4.59

Polar Surface Area

88.242

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G637-0015 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G637-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G637-0015?
Check Price and Availability of G637-0015, 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 G637-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G637-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G637-0015
  • 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 G637-0015 available by request