V021-5398 Screening compound: 1-{4-[(2,4-difluorophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}pyrrolidine

V021-5398 Screening compound: 1-{4-[(2,4-difluorophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}pyrrolidine
V021-5398 Screening compound: 1-{4-[(2,4-difluorophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5398
1-{4-[(2,4-difluorophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}pyrrolidine

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

V021-5398

Molecular Formula

C19H18F2N2OS (C19 H18 F2 N2 OS)

Compound Name

1-{4-[(2,4-difluorophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}pyrrolidine

IUPAC name

1-{4-[(24-difluorophenyl)methyl]-2-methyl-4H-thieno[32-b]pyrrole-5-carbonyl}pyrrolidine

SMILES

Cc1cc(n(Cc(ccc(F)c2)c2F)c(C(N2CCCC2)=O)c2)c2s1

InChI

InChI=1S/C19H18F2N2OS/c1-12-8-16-18(25-12)10-17(19(24)22-6-2-3-7-22)23(16)11-13-4-5-14(20)9-15(13)21/h4-5,8-10H,2-3,6-7,11H2,1H3

InChI Key

UCMQFPNFVNPKHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19895946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.833

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.73

Polar Surface Area

18.725

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

V021-5398 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-5398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5398?
Check Price and Availability of V021-5398, 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 V021-5398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5398
  • 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 V021-5398 available by request