V021-9892 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(propan-2-yl)urea

V021-9892 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(propan-2-yl)urea
V021-9892 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9892
1-(3-chlorophenyl)-3-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(propan-2-yl)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

V021-9892

Molecular Formula

C26H27ClFN3O3S (C26 H27 ClFN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(CC(N(CC1)C(COc(cc2)ccc2F)c2c1scc2)=O)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C26H27ClFN3O3S/c1-17(2)31(26(33)29-20-5-3-4-18(27)14-20)15-25(32)30-12-10-24-22(11-13-35-24)23(30)16-34-21-8-6-19(28)7-9-21/h3-9,11,13-14,17,23H,10,12,15-16H2,1-2H3,(H,29,33)/t23-/m0/s1

InChI Key

JPMWHMIMVJWKRF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19867746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.926

Distribution Coefficient, logD

5.926

Water Solubility, LogSw

-6.09

Polar Surface Area

48.851

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V021-9892 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9892
  • 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 V021-9892 available by request