C191-0258 Screening compound: 6,7-dimethoxy-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0258 Screening compound: 6,7-dimethoxy-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0258 Screening compound: 6,7-dimethoxy-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0258
6,7-dimethoxy-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C191-0258

Molecular Formula

C28H27N5O7 (C28 H27 N5 O7)

Compound Name

6,7-dimethoxy-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

67-dimethoxy-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2Cc(cc3)ccc3C(N(CC3)CCN3c(cc3)ccc3[N+]([O-])=O)=O)=O)c1NC2=O

InChI

InChI=1S/C28H27N5O7/c1-39-24-15-22-23(16-25(24)40-2)29-28(36)32(27(22)35)17-18-3-5-19(6-4-18)26(34)31-13-11-30(12-14-31)20-7-9-21(10-8-20)33(37)38/h3-10,15-16H,11-14,17H2,1-2H3,(H,29,36)

InChI Key

HIIURIJRSYOEDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.51

Polar Surface Area

109.031

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C191-0258 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C191-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0258?
Check Price and Availability of C191-0258, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C191-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0258
  • 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 C191-0258 available by request