3360-8695 Screening compound: methyl 4-(4-fluorophenyl)-2-[4-(propan-2-yloxy)benzamido]thiophene-3-carboxylate

3360-8695 Screening compound: methyl 4-(4-fluorophenyl)-2-[4-(propan-2-yloxy)benzamido]thiophene-3-carboxylate
3360-8695 Screening compound: methyl 4-(4-fluorophenyl)-2-[4-(propan-2-yloxy)benzamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-8695
methyl 4-(4-fluorophenyl)-2-[4-(propan-2-yloxy)benzamido]thiophene-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

3360-8695

Molecular Formula

C22H20FNO4S (C22 H20 FNO4 S)

Compound Name

methyl 4-(4-fluorophenyl)-2-[4-(propan-2-yloxy)benzamido]thiophene-3-carboxylate

IUPAC name

methyl 4-(4-fluorophenyl)-2-[4-(propan-2-yloxy)benzamido]thiophene-3-carboxylate

SMILES

CC(C)Oc(cc1)ccc1C(Nc1c(C(OC)=O)c(-c(cc2)ccc2F)cs1)=O

InChI

InChI=1S/C22H20FNO4S/c1-13(2)28-17-10-6-15(7-11-17)20(25)24-21-19(22(26)27-3)18(12-29-21)14-4-8-16(23)9-5-14/h4-13H,1-3H3,(H,24,25)

InChI Key

MCQRSSHGNXRBMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

4.799

Water Solubility, LogSw

-4.76

Polar Surface Area

50.829

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-10.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3360-8695 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3360-8695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-8695?
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What is the minimum amount of 3360-8695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-8695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-8695
  • 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 3360-8695 available by request