V003-9486 Screening compound: N~1~-(3-chlorophenyl)-4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}tetrahydro-1(2H)-pyrazinecarboxamide

V003-9486 Screening compound: N~1~-(3-chlorophenyl)-4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}tetrahydro-1(2H)-pyrazinecarboxamide
V003-9486 Screening compound: N~1~-(3-chlorophenyl)-4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9486
N~1~-(3-chlorophenyl)-4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}tetrahydro-1(2H)-pyrazinecarboxamide

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

V003-9486

Molecular Formula

C27H28ClFN4O2S (C27 H28 ClFN4 O2 S)

Compound Name

N~1~-(3-chlorophenyl)-4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(3-chlorophenyl)-4-{3-[4-(3-fluorophenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]propanoyl}piperazine-1-carboxamide

SMILES

O=C(CCN(CCc1c2ccs1)C2c1cc(F)ccc1)N(CC1)CCN1C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C27H28ClFN4O2S/c28-20-4-2-6-22(18-20)30-27(35)33-14-12-31(13-15-33)25(34)8-11-32-10-7-24-23(9-16-36-24)26(32)19-3-1-5-21(29)17-19/h1-6,9,16-18,26H,7-8,10-15H2,(H,30,35)/t26-/m1/s1

InChI Key

GSVMBYTURQGUIW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19940003

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.94

Polar Surface Area

45.777

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V003-9486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9486?
Check Price and Availability of V003-9486, 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 V003-9486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9486
  • 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 V003-9486 available by request