V022-6996 Screening compound: N-(cyclopropylmethyl)-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methylbenzamide

V022-6996 Screening compound: N-(cyclopropylmethyl)-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methylbenzamide
V022-6996 Screening compound: N-(cyclopropylmethyl)-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6996
N-(cyclopropylmethyl)-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methylbenzamide

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

V022-6996

Molecular Formula

C28H29FN2O3S (C28 H29 FN2 O3 S)

Compound Name

N-(cyclopropylmethyl)-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methylbenzamide

IUPAC name

N-(cyclopropylmethyl)-N-(2-{4-[(2-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(N(CC1CC1)CC(N(CC1)C(COc(cccc2)c2F)c2c1scc2)=O)=O

InChI

InChI=1S/C28H29FN2O3S/c1-19-6-10-21(11-7-19)28(33)30(16-20-8-9-20)17-27(32)31-14-12-26-22(13-15-35-26)24(31)18-34-25-5-3-2-4-23(25)29/h2-7,10-11,13,15,20,24H,8-9,12,14,16-18H2,1H3/t24-/m0/s1

InChI Key

KUGXWCYGCMABDQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19866669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.507

Distribution Coefficient, logD

5.507

Water Solubility, LogSw

-5.52

Polar Surface Area

40.625

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V022-6996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6996?
Check Price and Availability of V022-6996, 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 V022-6996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6996
  • 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 V022-6996 available by request