SD73-0515 Screening compound: {2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidinyl}(5-chloro-2-fluorophenyl)methanone

SD73-0515 Screening compound: {2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidinyl}(5-chloro-2-fluorophenyl)methanone
SD73-0515 Screening compound: {2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidinyl}(5-chloro-2-fluorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD73-0515
{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidinyl}(5-chloro-2-fluorophenyl)methanone

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

SD73-0515

Molecular Formula

C22H22ClFN4O (C22 H22 ClFN4 O)

Compound Name

{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidinyl}(5-chloro-2-fluorophenyl)methanone

IUPAC name

n/a

SMILES

O=C(c(cc(cc1)Cl)c1F)N1C(CCc2nncn2Cc2ccccc2)CCC1

InChI

InChI=1S/C22H22ClFN4O/c23-17-8-10-20(24)19(13-17)22(29)28-12-4-7-18(28)9-11-21-26-25-15-27(21)14-16-5-2-1-3-6-16/h1-3,5-6,8,10,13,15,18H,4,7,9,11-12,14H2/t18-/m1/s1

InChI Key

NFKAGQCASBCDCV-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.743

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.27

Polar Surface Area

41.960

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with SD73-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD73-0515?
Check Price and Availability of SD73-0515, 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 SD73-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD73-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD73-0515
  • 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 SD73-0515 available by request