V021-1907 Screening compound: 3-(butan-2-yl)-1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)urea

V021-1907 Screening compound: 3-(butan-2-yl)-1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)urea
V021-1907 Screening compound: 3-(butan-2-yl)-1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1907
3-(butan-2-yl)-1-(3-chlorophenyl)-3-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)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

V021-1907

Molecular Formula

C27H29ClFN3O3S (C27 H29 ClFN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H29ClFN3O3S/c1-3-18(2)32(27(34)30-21-8-4-6-19(28)14-21)16-26(33)31-12-10-25-23(11-13-36-25)24(31)17-35-22-9-5-7-20(29)15-22/h4-9,11,13-15,18,24H,3,10,12,16-17H2,1-2H3,(H,30,34)

InChI Key

SPGPTRFEAQZJBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.470

Distribution Coefficient, logD

6.470

Water Solubility, LogSw

-6.24

Polar Surface Area

48.435

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V021-1907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1907?
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What is the minimum amount of V021-1907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1907
  • 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 V021-1907 available by request