V022-1604 Screening compound: N-(butan-2-yl)-2-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)benzamide

V022-1604 Screening compound: N-(butan-2-yl)-2-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)benzamide
V022-1604 Screening compound: N-(butan-2-yl)-2-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-1604
N-(butan-2-yl)-2-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)benzamide

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

V022-1604

Molecular Formula

C28H31FN2O4S (C28 H31 FN2 O4 S)

Compound Name

N-(butan-2-yl)-2-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)benzamide

IUPAC name

N-(butan-2-yl)-2-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)benzamide

SMILES

CCC(C)N(CC(N(CC1)C(COc2cc(OC)ccc2)c2c1scc2)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C28H31FN2O4S/c1-4-19(2)31(28(33)22-10-5-6-11-24(22)29)17-27(32)30-14-12-26-23(13-15-36-26)25(30)18-35-21-9-7-8-20(16-21)34-3/h5-11,13,15-16,19,25H,4,12,14,17-18H2,1-3H3

InChI Key

JPTFKFVXARYDEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19865645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

5.541

Water Solubility, LogSw

-5.46

Polar Surface Area

47.158

Acid Dissociation Constant (pKa)

22.56

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V022-1604 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V022-1604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-1604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-1604
  • 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 V022-1604 available by request