V021-1873 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

V021-1873 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea
V021-1873 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1873
1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

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

V021-1873

Molecular Formula

C28H31ClFN3O3S (C28 H31 ClFN3 O3 S)

Compound Name

1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

IUPAC name

1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

SMILES

CCC(C)CN(CC(N(CC1)C(COc2cc(F)ccc2)c2c1scc2)=O)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C28H31ClFN3O3S/c1-3-19(2)16-32(28(35)31-22-8-4-6-20(29)14-22)17-27(34)33-12-10-26-24(11-13-37-26)25(33)18-36-23-9-5-7-21(30)15-23/h4-9,11,13-15,19,25H,3,10,12,16-18H2,1-2H3,(H,31,35)

InChI Key

DNHNHEQSKYIKCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.09

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.018

Distribution Coefficient, logD

7.018

Water Solubility, LogSw

-6.35

Polar Surface Area

49.107

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V021-1873 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V021-1873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1873
  • 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 V021-1873 available by request