K808-1512 Screening compound: ethyl 2-(2-{[4-(4-fluorophenyl)-4-oxobutanoyl]amino}-1,3-thiazol-4-yl)acetate

K808-1512 Screening compound: ethyl 2-(2-{[4-(4-fluorophenyl)-4-oxobutanoyl]amino}-1,3-thiazol-4-yl)acetate
K808-1512 Screening compound: ethyl 2-(2-{[4-(4-fluorophenyl)-4-oxobutanoyl]amino}-1,3-thiazol-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K808-1512
ethyl 2-(2-{[4-(4-fluorophenyl)-4-oxobutanoyl]amino}-1,3-thiazol-4-yl)acetate

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

K808-1512

Molecular Formula

C17H17FN2O4S (C17 H17 FN2 O4 S)

Compound Name

ethyl 2-(2-{[4-(4-fluorophenyl)-4-oxobutanoyl]amino}-1,3-thiazol-4-yl)acetate

IUPAC name

ethyl 2-{2-[4-(4-fluorophenyl)-4-oxobutanamido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(CCC(c(cc2)ccc2F)=O)=O)n1)=O

InChI

InChI=1S/C17H17FN2O4S/c1-2-24-16(23)9-13-10-25-17(19-13)20-15(22)8-7-14(21)11-3-5-12(18)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,19,20,22)

InChI Key

IETLCZOFZHBMHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-3.22

Polar Surface Area

67.064

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

K808-1512 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 K808-1512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K808-1512?
Check Price and Availability of K808-1512, 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 K808-1512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K808-1512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K808-1512
  • 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 K808-1512 available by request