8014-0038 Screening compound: N~1~-(tert-butyl)-2-{[(4-fluorophenyl)sulfonyl]amino}benzamide

8014-0038 Screening compound: N~1~-(tert-butyl)-2-{[(4-fluorophenyl)sulfonyl]amino}benzamide
8014-0038 Screening compound: N~1~-(tert-butyl)-2-{[(4-fluorophenyl)sulfonyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0038
N~1~-(tert-butyl)-2-{[(4-fluorophenyl)sulfonyl]amino}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

8014-0038

Molecular Formula

C17H19FN2O3S (C17 H19 FN2 O3 S)

Compound Name

N~1~-(tert-butyl)-2-{[(4-fluorophenyl)sulfonyl]amino}benzamide

IUPAC name

N-tert-butyl-2-(4-fluorobenzenesulfonamido)benzamide

SMILES

CC(C)(C)NC(c(cccc1)c1NS(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C17H19FN2O3S/c1-17(2,3)19-16(21)14-6-4-5-7-15(14)20-24(22,23)13-10-8-12(18)9-11-13/h4-11,20H,1-3H3,(H,19,21)

InChI Key

KRWBKZWQAYHOGN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.105

Distribution Coefficient, logD

1.703

Water Solubility, LogSw

-3.74

Polar Surface Area

63.699

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8014-0038 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0038?
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What is the minimum amount of 8014-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0038
  • 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 8014-0038 available by request