V006-1034 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(prop-2-en-1-yl)urea

V006-1034 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(prop-2-en-1-yl)urea
V006-1034 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(prop-2-en-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1034
1-(3-chlorophenyl)-3-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(prop-2-en-1-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

V006-1034

Molecular Formula

C27H28ClN3O4S (C27 H28 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(OCC(c2c(CC3)scc2)N3C(CN(CC=C)C(Nc2cccc(Cl)c2)=O)=O)c1

InChI

InChI=1S/C27H28ClN3O4S/c1-3-12-30(27(33)29-20-7-4-6-19(28)15-20)17-26(32)31-13-10-25-23(11-14-36-25)24(31)18-35-22-9-5-8-21(16-22)34-2/h3-9,11,14-16,24H,1,10,12-13,17-18H2,2H3,(H,29,33)/t24-/m0/s1

InChI Key

SKQLRRHUFRLGAM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19867406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.706

Distribution Coefficient, logD

5.706

Water Solubility, LogSw

-5.86

Polar Surface Area

56.629

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V006-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1034?
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What is the minimum amount of V006-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1034
  • 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 V006-1034 available by request