F638-0872 Screening compound: 2-{[1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

F638-0872 Screening compound: 2-{[1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline
F638-0872 Screening compound: 2-{[1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound F638-0872
2-{[1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

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

F638-0872

Molecular Formula

C22H29N3O3S (C22 H29 N3 O3 S)

Compound Name

2-{[1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{[12-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1234-tetrahydroisoquinoline

SMILES

CC(CC1)CCN1C(c1cc(S(N(CC2)Cc3c2cccc3)(=O)=O)c(C)n1C)=O

InChI

InChI=1S/C22H29N3O3S/c1-16-8-11-24(12-9-16)22(26)20-14-21(17(2)23(20)3)29(27,28)25-13-10-18-6-4-5-7-19(18)15-25/h4-7,14,16H,8-13,15H2,1-3H3

InChI Key

JWGHIFARXMQHGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.43

Polar Surface Area

50.292

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with F638-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F638-0872?
Check Price and Availability of F638-0872, 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 F638-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F638-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F638-0872
  • 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 F638-0872 available by request