8017-0654 Screening compound: 2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-(4-fluorophenyl)propanoic acid

8017-0654 Screening compound: 2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-(4-fluorophenyl)propanoic acid
8017-0654 Screening compound: 2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-(4-fluorophenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0654
2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-(4-fluorophenyl)propanoic acid

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

8017-0654

Molecular Formula

C13H11BrFNO4S2 (C13 H11 BrFNO4 S2)

Compound Name

2-{[(5-bromo-2-thienyl)sulfonyl]amino}-3-(4-fluorophenyl)propanoic acid

IUPAC name

2-(5-bromothiophene-2-sulfonamido)-3-(4-fluorophenyl)propanoic acid

SMILES

OC(C(Cc(cc1)ccc1F)NS(c(s1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C13H11BrFNO4S2/c14-11-5-6-12(21-11)22(19,20)16-10(13(17)18)7-8-1-3-9(15)4-2-8/h1-6,10,16H,7H2,(H,17,18)/t10-/m0/s1

InChI Key

HDRZNYYYMJROAJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06013804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

-1.650

Water Solubility, LogSw

-2.71

Polar Surface Area

71.267

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

-8.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with 8017-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0654?
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What is the minimum amount of 8017-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0654
  • 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 8017-0654 available by request