V014-9831 Screening compound: 1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-3-(4-nitrophenyl)urea

V014-9831 Screening compound: 1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-3-(4-nitrophenyl)urea
V014-9831 Screening compound: 1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-3-(4-nitrophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9831
1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-3-(4-nitrophenyl)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

V014-9831

Molecular Formula

C29H32N6O5 (C29 H32 N6 O5)

Compound Name

1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-3-(4-nitrophenyl)urea

IUPAC name

1-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-3-(4-nitrophenyl)urea

SMILES

COc(cccc1)c1N(CC1)CCN1c(ccc(NC(Nc(cc1)ccc1[N+]([O-])=O)=O)c1)c1C(N1CCCC1)=O

InChI

InChI=1S/C29H32N6O5/c1-40-27-7-3-2-6-26(27)33-18-16-32(17-19-33)25-13-10-22(20-24(25)28(36)34-14-4-5-15-34)31-29(37)30-21-8-11-23(12-9-21)35(38)39/h2-3,6-13,20H,4-5,14-19H2,1H3,(H2,30,31,37)

InChI Key

RANPMFSRXZLDAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14240601

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.304

Distribution Coefficient, logD

5.304

Water Solubility, LogSw

-5.27

Polar Surface Area

96.679

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V014-9831 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V014-9831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9831?
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What is the minimum amount of V014-9831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9831
  • 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 V014-9831 available by request