Y021-1903 Screening compound: 5'-bromo-7-methoxy-2,3,4,9-tetrahydrospiro[${b}-carboline-1,3'-indol]-2'(1'{H})-one

Y021-1903 Screening compound: 5'-bromo-7-methoxy-2,3,4,9-tetrahydrospiro[${b}-carboline-1,3'-indol]-2'(1'{H})-one
Y021-1903 Screening compound: 5'-bromo-7-methoxy-2,3,4,9-tetrahydrospiro[${b}-carboline-1,3'-indol]-2'(1'{H})-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1903
5'-bromo-7-methoxy-2,3,4,9-tetrahydrospiro[${b}-carboline-1,3'-indol]-2'(1'{H})-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

Y021-1903

Molecular Formula

C19H16BrN3O2 (C19 H16 BrN3 O2)

Compound Name

5'-bromo-7-methoxy-2,3,4,9-tetrahydrospiro[${b}-carboline-1,3'-indol]-2'(1'{H})-one

IUPAC name

5-bromo-7'-methoxy-122'3'4'9'-hexahydrospiro[indole-31'-pyrido[34-b]indol]-2-one

SMILES

COc(cc1)cc2c1c(CCNC1(c(cc(cc3)Br)c3N3)C3=O)c1[nH]2

InChI

InChI=1S/C19H16BrN3O2/c1-25-11-3-4-12-13-6-7-21-19(17(13)22-16(12)9-11)14-8-10(20)2-5-15(14)23-18(19)24/h2-5,8-9,21-22H,6-7H2,1H3,(H,23,24)/t19-/m0/s1

InChI Key

QMHZDTMWKBEVIS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06495783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-4.35

Polar Surface Area

55.559

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

Y021-1903 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y021-1903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1903?
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What is the minimum amount of Y021-1903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1903
  • 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 Y021-1903 available by request