V014-1085 Screening compound: 3-butyl-3-{2-[4-(4-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-[4-(methylsulfanyl)phenyl]urea

V014-1085 Screening compound: 3-butyl-3-{2-[4-(4-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-[4-(methylsulfanyl)phenyl]urea
V014-1085 Screening compound: 3-butyl-3-{2-[4-(4-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-[4-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1085
3-butyl-3-{2-[4-(4-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-[4-(methylsulfanyl)phenyl]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

V014-1085

Molecular Formula

C31H31ClN4O2S (C31 H31 ClN4 O2 S)

Compound Name

3-butyl-3-{2-[4-(4-chlorophenyl)-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl}-1-[4-(methylsulfanyl)phenyl]urea

IUPAC name

3-butyl-3-{2-[4-(4-chlorophenyl)-4H5H-pyrrolo[12-a]quinoxalin-5-yl]-2-oxoethyl}-1-[4-(methylsulfanyl)phenyl]urea

SMILES

CCCCN(CC(N(C1c(cc2)ccc2Cl)c(cccc2)c2-n2c1ccc2)=O)C(Nc(cc1)ccc1SC)=O

InChI

InChI=1S/C31H31ClN4O2S/c1-3-4-19-34(31(38)33-24-15-17-25(39-2)18-16-24)21-29(37)36-27-9-6-5-8-26(27)35-20-7-10-28(35)30(36)22-11-13-23(32)14-12-22/h5-18,20,30H,3-4,19,21H2,1-2H3,(H,33,38)/t30-/m1/s1

InChI Key

XMQBVZOBZCMPQZ-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD14239463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.13

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

7.426

Distribution Coefficient, logD

7.426

Water Solubility, LogSw

-6.45

Polar Surface Area

40.830

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

V014-1085 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V014-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1085?
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What is the minimum amount of V014-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1085
  • 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 V014-1085 available by request