C700-1002 Screening compound: ethyl 4-{2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

C700-1002 Screening compound: ethyl 4-{2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate
C700-1002 Screening compound: ethyl 4-{2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1002
ethyl 4-{2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

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

C700-1002

Molecular Formula

C23H32N4O7S (C23 H32 N4 O7 S)

Compound Name

ethyl 4-{2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[6-(azepane-1-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CN1c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2OCC1=O)=O)=O

InChI

InChI=1S/C23H32N4O7S/c1-2-33-23(30)25-13-11-24(12-14-25)21(28)16-27-19-15-18(7-8-20(19)34-17-22(27)29)35(31,32)26-9-5-3-4-6-10-26/h7-8,15H,2-6,9-14,16-17H2,1H3

InChI Key

USCISLXAEHNFNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

1.537

Water Solubility, LogSw

-2.59

Polar Surface Area

95.283

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

References: we are preparing a list of scientific research reports with C700-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1002?
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What is the minimum amount of C700-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1002
  • 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 C700-1002 available by request