3366-7989 Screening compound: propan-2-yl 5-(diethylcarbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate

3366-7989 Screening compound: propan-2-yl 5-(diethylcarbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate
3366-7989 Screening compound: propan-2-yl 5-(diethylcarbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-7989
propan-2-yl 5-(diethylcarbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate

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

3366-7989

Molecular Formula

C21H25FN2O4S (C21 H25 FN2 O4 S)

Compound Name

propan-2-yl 5-(diethylcarbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate

IUPAC name

propan-2-yl 5-(diethylcarbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate

SMILES

CCN(CC)C(c1c(C)c(C(OC(C)C)=O)c(NC(c(cc2)ccc2F)=O)s1)=O

InChI

InChI=1S/C21H25FN2O4S/c1-6-24(7-2)20(26)17-13(5)16(21(27)28-12(3)4)19(29-17)23-18(25)14-8-10-15(22)11-9-14/h8-12H,6-7H2,1-5H3,(H,23,25)

InChI Key

XMPQUTGIXXCMEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01358006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

-0.159

Water Solubility, LogSw

-4.20

Polar Surface Area

59.489

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3366-7989 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3366-7989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-7989?
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What is the minimum amount of 3366-7989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-7989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-7989
  • 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 3366-7989 available by request