C700-0946 Screening compound: 4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

C700-0946 Screening compound: 4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
C700-0946 Screening compound: 4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0946
4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-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

C700-0946

Molecular Formula

C23H26N4O7S (C23 H26 N4 O7 S)

Compound Name

4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2OCC1=O)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C23H26N4O7S/c28-21(24-9-11-25(12-10-24)23(30)20-4-3-13-33-20)15-27-18-14-17(5-6-19(18)34-16-22(27)29)35(31,32)26-7-1-2-8-26/h3-6,13-14H,1-2,7-12,15-16H2

InChI Key

YPBCUBQGSBNTJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.381

Distribution Coefficient, logD

0.381

Water Solubility, LogSw

-2.18

Polar Surface Area

97.572

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C700-0946 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C700-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0946?
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What is the minimum amount of C700-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0946
  • 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 C700-0946 available by request