V021-9962 Screening compound: 3-(butan-2-yl)-3-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(4-methylphenyl)urea

V021-9962 Screening compound: 3-(butan-2-yl)-3-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(4-methylphenyl)urea
V021-9962 Screening compound: 3-(butan-2-yl)-3-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9962
3-(butan-2-yl)-3-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(4-methylphenyl)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

V021-9962

Molecular Formula

C28H32FN3O3S (C28 H32 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)N(CC(N(CC1)C(COc(cc2)ccc2F)c2c1scc2)=O)C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C28H32FN3O3S/c1-4-20(3)32(28(34)30-22-9-5-19(2)6-10-22)17-27(33)31-15-13-26-24(14-16-36-26)25(31)18-35-23-11-7-21(29)8-12-23/h5-12,14,16,20,25H,4,13,15,17-18H2,1-3H3,(H,30,34)

InChI Key

FAYRZUOUVXACRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.64

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

6.060

Distribution Coefficient, logD

6.060

Water Solubility, LogSw

-5.39

Polar Surface Area

48.435

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V021-9962 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 V021-9962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9962
  • 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 V021-9962 available by request