8018-3755 Screening compound: 1,3,5-trimethyl-6-({4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

8018-3755 Screening compound: 1,3,5-trimethyl-6-({4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
8018-3755 Screening compound: 1,3,5-trimethyl-6-({4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3755
1,3,5-trimethyl-6-({4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

8018-3755

Molecular Formula

C25H30N6O7S (C25 H30 N6 O7 S)

Compound Name

1,3,5-trimethyl-6-({4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

135-trimethyl-6-({4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazin-1-yl}sulfonyl)-23-dihydro-1H-13-benzodiazol-2-one

SMILES

Cc(cc(c(N1C)c2)N(C)C1=O)c2S(N(CC1)CCN1c(ccc(C(N1CCOCC1)=O)c1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C25H30N6O7S/c1-17-14-20-21(27(3)25(33)26(20)2)16-23(17)39(36,37)30-8-6-28(7-9-30)19-5-4-18(15-22(19)31(34)35)24(32)29-10-12-38-13-11-29/h4-5,14-16H,6-13H2,1-3H3

InChI Key

FQHUYDMFDATJKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.62

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.522

Distribution Coefficient, logD

1.522

Water Solubility, LogSw

-2.41

Polar Surface Area

110.231

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

8018-3755 in Drug Discovery

Included in Screening Libraries

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 8018-3755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3755?
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What is the minimum amount of 8018-3755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3755
  • 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 8018-3755 available by request