V006-0994 Screening compound: ethyl 7-[1-(4-bromothiophen-2-yl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-7-oxoheptanoate

V006-0994 Screening compound: ethyl 7-[1-(4-bromothiophen-2-yl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-7-oxoheptanoate
V006-0994 Screening compound: ethyl 7-[1-(4-bromothiophen-2-yl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-7-oxoheptanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0994
ethyl 7-[1-(4-bromothiophen-2-yl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-7-oxoheptanoate

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

V006-0994

Molecular Formula

C25H29BrN2O4S (C25 H29 BrN2 O4 S)

Compound Name

ethyl 7-[1-(4-bromothiophen-2-yl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-7-oxoheptanoate

IUPAC name

ethyl 7-[1-(4-bromothiophen-2-yl)-6-methoxy-1H2H3H4H9H-pyrido[34-b]indol-2-yl]-7-oxoheptanoate

SMILES

CCOC(CCCCCC(N(CC1)C(c2cc(Br)cs2)c2c1c(cc(cc1)OC)c1[nH]2)=O)=O

InChI

InChI=1S/C25H29BrN2O4S/c1-3-32-23(30)8-6-4-5-7-22(29)28-12-11-18-19-14-17(31-2)9-10-20(19)27-24(18)25(28)21-13-16(26)15-33-21/h9-10,13-15,25,27H,3-8,11-12H2,1-2H3/t25-/m0/s1

InChI Key

ZULOYLDIABJRRE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19942988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.728

Water Solubility, LogSw

-5.34

Polar Surface Area

54.537

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V006-0994 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V006-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0994?
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What is the minimum amount of V006-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0994
  • 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 V006-0994 available by request