8016-2250 Screening compound: 4-amino-2-({[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]carbonyl}amino)-4-oxobutanoic acid

8016-2250 Screening compound: 4-amino-2-({[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]carbonyl}amino)-4-oxobutanoic acid
8016-2250 Screening compound: 4-amino-2-({[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]carbonyl}amino)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2250
4-amino-2-({[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]carbonyl}amino)-4-oxobutanoic 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

8016-2250

Molecular Formula

C14H16N2O5S (C14 H16 N2 O5 S)

Compound Name

4-amino-2-({[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]carbonyl}amino)-4-oxobutanoic acid

IUPAC name

3-carbamoyl-2-{[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]formamido}propanoic acid

SMILES

CC(C)(C#Cc1ccc(C(NC(CC(N)=O)C(O)=O)=O)s1)O

InChI

InChI=1S/C14H16N2O5S/c1-14(2,21)6-5-8-3-4-10(22-8)12(18)16-9(13(19)20)7-11(15)17/h3-4,9,21H,7H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)/t9-/m0/s1

InChI Key

OEHBSWZJDNRXFR-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05854835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.093

Distribution Coefficient, logD

-3.547

Water Solubility, LogSw

-1.82

Polar Surface Area

103.555

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

8016-2250 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-2250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2250?
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What is the minimum amount of 8016-2250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2250
  • 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 8016-2250 available by request