C700-2625 Screening compound: 1-{2-methyl-5-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one

C700-2625 Screening compound: 1-{2-methyl-5-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one
C700-2625 Screening compound: 1-{2-methyl-5-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2625
1-{2-methyl-5-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-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

C700-2625

Molecular Formula

C27H29N5O3S (C27 H29 N5 O3 S)

Compound Name

1-{2-methyl-5-[(4-{pyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one

IUPAC name

1-{2-methyl-5-[(4-{pyrrolo[12-a]quinoxalin-4-yl}-14-diazepan-1-yl)sulfonyl]-23-dihydro-1H-indol-1-yl}ethan-1-one

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(N(CCC1)CCN1c1nc(cccc2)c2n2c1ccc2)(=O)=O

InChI

InChI=1S/C27H29N5O3S/c1-19-17-21-18-22(10-11-24(21)32(19)20(2)33)36(34,35)30-13-6-12-29(15-16-30)27-26-9-5-14-31(26)25-8-4-3-7-23(25)28-27/h3-5,7-11,14,18-19H,6,12-13,15-17H2,1-2H3/t19-/m1/s1

InChI Key

VLEHHFHTGCDCFN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14786076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.32

Polar Surface Area

58.365

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C700-2625 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C700-2625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2625?
Check Price and Availability of C700-2625, 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 C700-2625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2625
  • 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 C700-2625 available by request