S639-0533 Screening compound: 2-chloro-N-{4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl}-6-fluorobenzamide

S639-0533 Screening compound: 2-chloro-N-{4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl}-6-fluorobenzamide
S639-0533 Screening compound: 2-chloro-N-{4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl}-6-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-0533
2-chloro-N-{4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl}-6-fluorobenzamide

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

S639-0533

Molecular Formula

C18H21ClFN5O (C18 H21 ClFN5 O)

Compound Name

2-chloro-N-{4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl}-6-fluorobenzamide

IUPAC name

2-chloro-N-[(3S4R)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-6-fluorobenzamide

SMILES

CN(C)C[C@@H](CN(C1)c2ncncc2)[C@H]1NC(c(c(F)ccc1)c1Cl)=O

InChI

InChI=1S/C18H21ClFN5O/c1-24(2)8-12-9-25(16-6-7-21-11-22-16)10-15(12)23-18(26)17-13(19)4-3-5-14(17)20/h3-7,11-12,15H,8-10H2,1-2H3,(H,23,26)/t12-,15-/m0/s1

InChI Key

QFPYNCSEBCMQLL-WFASDCNBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.894

Distribution Coefficient, logD

-0.245

Water Solubility, LogSw

-2.86

Polar Surface Area

51.801

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.89

References: we are preparing a list of scientific research reports with S639-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-0533?
Check Price and Availability of S639-0533, 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 S639-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-0533
  • 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 S639-0533 available by request