8017-0652 Screening compound: 3-(4-fluorophenyl)-2-({[2,4,6-trimethyl-3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]sulfonyl}amino)propanoic acid

8017-0652 Screening compound: 3-(4-fluorophenyl)-2-({[2,4,6-trimethyl-3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]sulfonyl}amino)propanoic acid
8017-0652 Screening compound: 3-(4-fluorophenyl)-2-({[2,4,6-trimethyl-3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]sulfonyl}amino)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0652
3-(4-fluorophenyl)-2-({[2,4,6-trimethyl-3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]sulfonyl}amino)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

8017-0652

Molecular Formula

C19H20FN5O4S (C19 H20 FN5 O4 S)

Compound Name

3-(4-fluorophenyl)-2-({[2,4,6-trimethyl-3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]sulfonyl}amino)propanoic acid

IUPAC name

3-(4-fluorophenyl)-2-[246-trimethyl-3-(1H-1234-tetrazol-1-yl)benzenesulfonamido]propanoic acid

SMILES

Cc(cc(C)c(S(NC(Cc(cc1)ccc1F)C(O)=O)(=O)=O)c1C)c1-n1nnnc1

InChI

InChI=1S/C19H20FN5O4S/c1-11-8-12(2)18(13(3)17(11)25-10-21-23-24-25)30(28,29)22-16(19(26)27)9-14-4-6-15(20)7-5-14/h4-8,10,16,22H,9H2,1-3H3,(H,26,27)/t16-/m0/s1

InChI Key

GGJHTJXLORHYON-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06013802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

-1.557

Water Solubility, LogSw

-2.73

Polar Surface Area

109.412

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with 8017-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0652?
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What is the minimum amount of 8017-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0652
  • 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 8017-0652 available by request